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

Systemtic Name: ethanedioic acid; 1-[(4-methylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-(p-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(4-methylphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-benzylsulfonyl-4-[(4-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(4-methylbenzyl)piperazine; oxalic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O2S.C2H2O4/c1-17-7-9-18(10-8-17)15-20-11-13-21(14-12-20)24(22,23)16-19-5-3-2-4-6-19;3-1(4)2(5)6/h2-10H,11-16H2,1H3;(H,3,4)(H,5,6)