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Chemistry, part 1

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

Preferred term

2-[(2s,4as,12as)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C23H25FN2O7S

inchi

  • InChI=1S/C23H25FN2O7S/c1-26-19-9-6-16(12-22(27)31-2)33-21(19)13-32-20-10-5-15(11-18(20)23(26)28)25-34(29,30)17-7-3-14(24)4-8-17/h3-5,7-8,10-11,16,19,21,25H,6,9,12-13H2,1-2H3/t16-,19-,21+/m0/s1

inchikey

  • QOIMCQVGUSYUFV-NBHGPNQESA-N

mass

  • 492.519

monoisotopicmass

  • 492.13665

smiles

  • CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99977

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