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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > 2-[(2r,4as,12as)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(1s)-1-phenylethyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(2r,4as,12as)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(1s)-1-phenylethyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(2r,4as,12as)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(1s)-1-phenylethyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 2-[(2r,4as,12as)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(1s)-1-phenylethyl]acetamide

Preferred term

2-[(2r,4as,12as)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(1s)-1-phenylethyl]acetamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C30H32ClN3O6S

inchi

  • InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26-,28+/m0/s1

inchikey

  • UIBIEJVTTJAUBZ-RGBPKTGBSA-N

mass

  • 598.112

monoisotopicmass

  • 597.17003

smiles

  • C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102807

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