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

Systemtic Name: N-[(2R,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenylsulfanyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[(1R,2R)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-1-(phenylsulfanylmethyl)propyl]-2-methyl-benzamide CAS Name: 3-hydroxy-N-[(2R,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-(phenylthio)butan-2-yl]-2-methylbenzamide IUPAC Name: 3-hydroxy-N-[(2R,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]-2-methylbenzamide Traditional Name: 3-hydroxy-N-[(1R,2R)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-1-[(phenylthio)methyl]propyl]-2-methyl-benzamide Formula: C29H36N2O6S2 MolecularWeight: 572.73594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C29H36N2O6S2/c1-20(2)17-31(39(35,36)24-15-13-22(37-4)14-16-24)18-28(33)26(19-38-23-9-6-5-7-10-23)30-29(34)25-11-8-12-27(32)21(25)3/h5-16,20,26,28,32-33H,17-19H2,1-4H3,(H,30,34)/t26-,28+/m0/s1