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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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