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

Systemtic Name: ethanedioic acid; 1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid Traditional Name: oxalic acid; 1-p-anisyl-4-tosyl-piperazine Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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