1-[(2,3-dimethoxyphenyl)methyl]-4-(phenylsulfonyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(phenylsulfonyl)piperazine; ethanedioic acid Openeye Name: 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-o-veratryl-piperazine; oxalic acid Formula: C21H26N2O8S MolecularWeight: 466.50474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

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