N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2,3-dimethyl-3-pyrrolidin-1-ylsulfonyl-butanamide

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2,3-dimethyl-3-pyrrolidin-1-ylsulfonyl-butanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2,3-dimethyl-3-pyrrolidin-1-ylsulfonyl-butanamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2,3-dimethyl-3-(1-pyrrolidinylsulfonyl)butanamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2,3-dimethyl-3-pyrrolidin-1-ylsulfonylbutanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2,3-dimethyl-3-pyrrolidinosulfonyl-butyramide Formula: C31H45N3O8S2 MolecularWeight: 651.8343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)C(C)(C)S(=O)(=O)N2CCCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)C(C)(C)S(=O)(=O)N2CCCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C31H45N3O8S2/c1-22(2)19-34(43(37,38)25-13-14-28-29(18-25)42-21-41-28)20-27(35)26(17-24-11-7-6-8-12-24)32-30(36)23(3)31(4,5)44(39,40)33-15-9-10-16-33/h6-8,11-14,18,22-23,26-27,35H,9-10,15-17,19-21H2,1-5H3,(H,32,36)