[4-[(4-cyano-2,2-dimethyl-butyl)-(4-phenylmethoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid

Systemtic Name: [4-[(4-cyano-2,2-dimethyl-butyl)-(4-phenylmethoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid Openeye Name: [1-benzyl-3-[(4-benzyloxyphenyl)sulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-2-hydroxy-propyl]carbamic acid CAS Name: [4-[(4-cyano-2,2-dimethylbutyl)-(4-phenylmethoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid IUPAC Name: [4-[(4-cyano-2,2-dimethylbutyl)-(4-phenylmethoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid Traditional Name: [3-[(4-benzoxyphenyl)sulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid Formula: C31H37N3O6S MolecularWeight: 579.70698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C31H37N3O6S/c1-31(2,18-9-19-32)23-34(21-29(35)28(33-30(36)37)20-24-10-5-3-6-11-24)41(38,39)27-16-14-26(15-17-27)40-22-25-12-7-4-8-13-25/h3-8,10-17,28-29,33,35H,9,18,20-23H2,1-2H3,(H,36,37)