1-[4-(3,4-dimethoxyphenyl)sulfonyl-3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-piperazin-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 1-[3-(4-benzhydrylpiperazine-1-carbonyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-yl]-2-benzyloxy-ethanone CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[3-(4-benzhydrylpiperazine-1-carbonyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 1-[3-(4-benzhydrylpiperazine-1-carbonyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazino]-2-benzoxy-ethanone Formula: C39H44N4O7S MolecularWeight: 712.85426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)COCC6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)COCC6=CC=CC=C6)OC

InChI

InChI=1S/C39H44N4O7S/c1-48-35-19-18-33(26-36(35)49-2)51(46,47)43-25-24-42(37(44)29-50-28-30-12-6-3-7-13-30)27-34(43)39(45)41-22-20-40(21-23-41)38(31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-19,26,34,38H,20-25,27-29H2,1-2H3