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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O2S.C2H2O4/c27-23-15-13-22(14-16-23)26(32(30,31)25-10-5-2-6-11-25)12-7-17-28-18-20-29(21-19-28)24-8-3-1-4-9-24;3-1(4)2(5)6/h1-6,8-11,13-16,26H,7,12,17-21H2;(H,3,4)(H,5,6)