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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-ethylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-esyl-4-o-veratryl-piperazine; oxalic acid Formula: C17H26N2O8S MolecularWeight: 418.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24N2O4S.C2H2O4/c1-4-22(18,19)17-10-8-16(9-11-17)12-13-6-5-7-14(20-2)15(13)21-3;3-1(4)2(5)6/h5-7H,4,8-12H2,1-3H3;(H,3,4)(H,5,6)