1-(3-chlorophenyl)-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine dihydrochloride

Systemtic Name: 1-(3-chlorophenyl)-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine dihydrochloride Openeye Name: 1-[4-(benzenesulfonyl)-4-phenyl-butyl]-4-(3-chlorophenyl)piperazine dihydrochloride CAS Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(3-chlorophenyl)piperazine dihydrochloride IUPAC Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(3-chlorophenyl)piperazine dihydrochloride Traditional Name: 1-(4-besyl-4-phenyl-butyl)-4-(3-chlorophenyl)piperazine dihydrochloride Formula: C26H31Cl3N2O2S MolecularWeight: 541.96054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl.Cl.Cl

InChI

InChI=1S/C26H29ClN2O2S.2ClH/c27-23-11-7-12-24(21-23)29-19-17-28(18-20-29)16-8-15-26(22-9-3-1-4-10-22)32(30,31)25-13-5-2-6-14-25;;/h1-7,9-14,21,26H,8,15-20H2;2*1H