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

Systemtic Name: ethanedioic acid; 1-[(4-methylphenyl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(p-tolylmethyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(4-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-(4-methylbenzyl)piperazine; oxalic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S.C2H2O4/c1-16-7-9-17(10-8-16)15-19-11-13-20(14-12-19)23(21,22)18-5-3-2-4-6-18;3-1(4)2(5)6/h2-10H,11-15H2,1H3;(H,3,4)(H,5,6)