N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-(1H-pyrazol-5-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-(1H-pyrazol-5-ylmethylsulfonyl)propanamide Openeye Name: N-[1-benzyl-3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-(1H-pyrazol-5-ylmethylsulfonyl)propanamide CAS Name: N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(1H-pyrazol-5-ylmethylsulfonyl)propanamide IUPAC Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(1H-pyrazol-5-ylmethylsulfonyl)propanamide Traditional Name: N-[1-benzyl-3-[coumaran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-(1H-pyrazol-5-ylmethylsulfonyl)propionamide Formula: C30H40N4O7S2 MolecularWeight: 632.7912

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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)CC2=CC=NN2)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)CC2=CC=NN2)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C30H40N4O7S2/c1-21(2)17-34(43(39,40)26-9-10-29-24(16-26)12-14-41-29)18-28(35)27(15-23-7-5-4-6-8-23)32-30(36)22(3)19-42(37,38)20-25-11-13-31-33-25/h4-11,13,16,21-22,27-28,35H,12,14-15,17-20H2,1-3H3,(H,31,33)(H,32,36)