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

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-m-anisyl-4-tosyl-piperazine; oxalic acid 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(=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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