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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 > n-[(2s,3r)-4-[(4-chlorophenyl)sulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide
... > 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 > n-[(2s,3r)-4-[(4-chlorophenyl)sulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[(2s,3r)-4-[(4-chlorophenyl)sulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[(2s,3r)-4-[(4-chlorophenyl)sulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide

Preferred term

n-[(2s,3r)-4-[(4-chlorophenyl)sulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C24H31ClN2O7S

inchi

  • InChI=1S/C24H31ClN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23-/m1/s1

inchikey

  • KWUJCNXGEDOTIS-SAHWJRBASA-N

mass

  • 527.032

monoisotopicmass

  • 526.15405

smiles

  • C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98354

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