N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-(2-pyridin-3-ylethylsulfonyl)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-(2-pyridin-3-ylethylsulfonyl)propanamide Openeye Name: N-[1-benzyl-3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-[2-(3-pyridyl)ethylsulfonyl]propanamide CAS Name: N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-[2-(3-pyridinyl)ethylsulfonyl]propanamide IUPAC Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(2-pyridin-3-ylethylsulfonyl)propanamide Traditional Name: N-[1-benzyl-3-[coumaran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-[2-(3-pyridyl)ethylsulfonyl]propionamide Formula: C33H43N3O7S2 MolecularWeight: 657.84042

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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)CCC2=CN=CC=C2)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)CCC2=CN=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C33H43N3O7S2/c1-24(2)21-36(45(41,42)29-11-12-32-28(19-29)13-16-43-32)22-31(37)30(18-26-8-5-4-6-9-26)35-33(38)25(3)23-44(39,40)17-14-27-10-7-15-34-20-27/h4-12,15,19-20,24-25,30-31,37H,13-14,16-18,21-23H2,1-3H3,(H,35,38)