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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)CCC2=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)CCC2=CC=NC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

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