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

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-m-anisyl-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid Formula: C21H26N2O8S MolecularWeight: 466.50474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O4S.C2H2O4/c1-24-17-6-8-19(9-7-17)26(22,23)21-12-10-20(11-13-21)15-16-4-3-5-18(14-16)25-2;3-1(4)2(5)6/h3-9,14H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)