1-(3-chlorophenyl)-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine; ethanedioic acid

Systemtic Name: 1-(3-chlorophenyl)-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine; ethanedioic acid Openeye Name: 1-[4-(benzenesulfonyl)-4-phenyl-butyl]-4-(3-chlorophenyl)piperazine; oxalic acid CAS Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(3-chlorophenyl)piperazine; oxalic acid IUPAC Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(3-chlorophenyl)piperazine; oxalic acid Traditional Name: 1-(4-besyl-4-phenyl-butyl)-4-(3-chlorophenyl)piperazine; oxalic acid Formula: C28H31ClN2O6S MolecularWeight: 559.07354

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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.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O2S.C2H2O4/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;3-1(4)2(5)6/h1-7,9-14,21,26H,8,15-20H2;(H,3,4)(H,5,6)