[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid

Systemtic Name: [4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid Openeye Name: [3-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid CAS Name: [4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid IUPAC Name: [4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid Traditional Name: [3-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid Formula: C25H31N3O7S MolecularWeight: 517.59454

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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=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)O)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C25H31N3O7S/c1-25(2,11-6-12-26)16-28(36(32,33)19-9-10-22-23(14-19)35-17-34-22)15-21(29)20(27-24(30)31)13-18-7-4-3-5-8-18/h3-5,7-10,14,20-21,27,29H,6,11,13,15-17H2,1-2H3,(H,30,31)