1-[4-(diphenylmethyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[(4-pyrrolidinosulfonylphenyl)thio]ethanone Formula: C29H33N3O3S2 MolecularWeight: 535.72062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O3S2/c33-28(23-36-26-13-15-27(16-14-26)37(34,35)32-17-7-8-18-32)30-19-21-31(22-20-30)29(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-16,29H,7-8,17-23H2