ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(o-tolylmethyl)piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(2-methylbenzyl)piperazine; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

InChI

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