1-[(2,5-dimethoxyphenyl)methyl]-4-methylsulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-(2,5-dimethoxybenzyl)-4-mesyl-piperazine; oxalic acid Formula: C16H24N2O8S MolecularWeight: 404.43536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O4S.C2H2O4/c1-19-13-4-5-14(20-2)12(10-13)11-15-6-8-16(9-7-15)21(3,17)18;3-1(4)2(5)6/h4-5,10H,6-9,11H2,1-3H3;(H,3,4)(H,5,6)