1-[(3-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(3-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(3-chlorobenzyl)-4-tosyl-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)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

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