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

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(m-tolylmethyl)piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-methylbenzyl)piperazine; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S.C2H2O4/c1-16-4-3-5-17(14-16)15-20-10-12-21(13-11-20)25(22,23)19-8-6-18(24-2)7-9-19;3-1(4)2(5)6/h3-9,14H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)