(3S)-N3-methyl-4-[4-(2-methylphenyl)phenyl]sulfonyl-N3-(2-oxidanyl-2-phenyl-ethyl)-N1-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-methyl-4-[4-(2-methylphenyl)phenyl]sulfonyl-N3-(2-oxidanyl-2-phenyl-ethyl)-N1-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide Openeye Name: (3S)-N3-(2-hydroxy-2-phenyl-ethyl)-N3-methyl-4-[4-(o-tolyl)phenyl]sulfonyl-N1-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide CAS Name: (3S)-N3-(2-hydroxy-2-phenylethyl)-N3-methyl-4-[4-(2-methylphenyl)phenyl]sulfonyl-N1-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-(2-hydroxy-2-phenylethyl)-3-N-methyl-4-[4-(2-methylphenyl)phenyl]sulfonyl-1-N-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide Traditional Name: (3S)-N'-(2-hydroxy-2-phenyl-ethyl)-N'-methyl-4-[4-(o-tolyl)phenyl]sulfonyl-N-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide Formula: C40H40N4O6S MolecularWeight: 704.8338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)N(C)CC(C4=CC=CC=C4)O)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCN(C[C@H]3C(=O)N(C)CC(C4=CC=CC=C4)O)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C40H40N4O6S/c1-29-11-9-10-16-36(29)30-17-23-35(24-18-30)51(48,49)44-26-25-43(27-37(44)39(46)42(2)28-38(45)31-12-5-3-6-13-31)40(47)41-32-19-21-34(22-20-32)50-33-14-7-4-8-15-33/h3-24,37-38,45H,25-28H2,1-2H3,(H,41,47)/t37-,38?/m0/s1