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

Systemtic Name: [1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-(3-oxidanyl-1-phenyl-butan-2-yl)carbamic acid Openeye Name: [1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-(1-benzyl-2-hydroxy-propyl)carbamic acid CAS Name: [1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-(3-hydroxy-1-phenylbutan-2-yl)carbamic acid IUPAC Name: [1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-(3-hydroxy-1-phenylbutan-2-yl)carbamic acid Traditional Name: [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(CC1=CC=CC=C1)N(C(=O)O)N(CC(C)(C)CCC#N)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O7S/c1-18(29)21(14-19-8-5-4-6-9-19)28(24(30)31)27(16-25(2,3)12-7-13-26)36(32,33)20-10-11-22-23(15-20)35-17-34-22/h4-6,8-11,15,18,21,29H,7,12,14,16-17H2,1-3H3,(H,30,31)