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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=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(=CC=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)25-15-13-24(38-3)14-16-25)20-28(32)27(17-22-9-6-5-7-10-22)30-29(33)23-11-8-12-26(18-23)39(4,34)35/h5-16,18,21,27-28,32H,17,19-20H2,1-4H3,(H,30,33)/t27-,28+/m0/s1