N-[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-4-methylsulfonyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-4-methylsulfonyl-benzamide CAS Name: N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-4-methylsulfonylbenzamide IUPAC Name: N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-4-methylsulfonylbenzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-4-mesyl-benzamide Formula: C29H36N2O7S2 MolecularWeight: 588.73534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H36N2O7S2/c1-21(2)19-31(40(36,37)26-16-12-24(38-3)13-17-26)20-28(32)27(18-22-8-6-5-7-9-22)30-29(33)23-10-14-25(15-11-23)39(4,34)35/h5-17,21,27-28,32H,18-20H2,1-4H3,(H,30,33)/t27-,28+/m0/s1