1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-(p-tolylmethyl)piperazine; oxalic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(4-methylbenzyl)piperazine; oxalic acid Formula: C20H23ClN2O6S MolecularWeight: 454.92442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21ClN2O2S.C2H2O4/c1-15-2-4-16(5-3-15)14-20-10-12-21(13-11-20)24(22,23)18-8-6-17(19)7-9-18;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)