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

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-pyrrolidin-1-ylsulfonyl-propanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-3-pyrrolidin-1-ylsulfonyl-propanamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(1-pyrrolidinylsulfonyl)propanamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-pyrrolidin-1-ylsulfonylpropanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-3-pyrrolidinosulfonyl-propionamide Formula: C29H41N3O8S2 MolecularWeight: 623.78114

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H41N3O8S2/c1-21(2)17-32(42(37,38)24-11-12-27-28(16-24)40-20-39-27)18-26(33)25(15-23-9-5-4-6-10-23)30-29(34)22(3)19-41(35,36)31-13-7-8-14-31/h4-6,9-12,16,21-22,25-26,33H,7-8,13-15,17-20H2,1-3H3,(H,30,34)