N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-(2-oxidanylidene-2-pyridin-4-yl-ethyl)sulfonyl-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-oxidanylidene-2-pyridin-4-yl-ethyl)sulfonyl-propanamide Openeye Name: N-[1-benzyl-3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-[2-oxo-2-(4-pyridyl)ethyl]sulfonyl-propanamide CAS Name: N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(2-oxo-2-pyridin-4-ylethyl)sulfonylpropanamide IUPAC Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(2-oxo-2-pyridin-4-ylethyl)sulfonylpropanamide Traditional Name: N-[1-benzyl-3-[coumaran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-3-[2-keto-2-(4-pyridyl)ethyl]sulfonyl-2-methyl-propionamide Formula: C33H41N3O8S2 MolecularWeight: 671.82394

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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)CC(=O)C2=CC=NC=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)CC(=O)C2=CC=NC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C33H41N3O8S2/c1-23(2)19-36(46(42,43)28-9-10-32-27(18-28)13-16-44-32)20-30(37)29(17-25-7-5-4-6-8-25)35-33(39)24(3)21-45(40,41)22-31(38)26-11-14-34-15-12-26/h4-12,14-15,18,23-24,29-30,37H,13,16-17,19-22H2,1-3H3,(H,35,39)