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

Systemtic Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-(pyrrolidin-2-ylmethylsulfonyl)propanamide Openeye Name: N-[1-benzyl-3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-(pyrrolidin-2-ylmethylsulfonyl)propanamide CAS Name: N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(2-pyrrolidinylmethylsulfonyl)propanamide IUPAC Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(pyrrolidin-2-ylmethylsulfonyl)propanamide Traditional Name: N-[1-benzyl-3-[coumaran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-(pyrrolidin-2-ylmethylsulfonyl)propionamide Formula: C31H45N3O7S2 MolecularWeight: 635.8349

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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)CC2CCCN2)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)CC2CCCN2)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C31H45N3O7S2/c1-22(2)18-34(43(39,40)27-11-12-30-25(17-27)13-15-41-30)19-29(35)28(16-24-8-5-4-6-9-24)33-31(36)23(3)20-42(37,38)21-26-10-7-14-32-26/h4-6,8-9,11-12,17,22-23,26,28-29,32,35H,7,10,13-16,18-21H2,1-3H3,(H,33,36)