ethanedioic acid; 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-methylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-mesyl-4-(2,3,4-trimethoxybenzyl)piperazine; oxalic acid Formula: C17H26N2O9S MolecularWeight: 434.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O5S.C2H2O4/c1-20-13-6-5-12(14(21-2)15(13)22-3)11-16-7-9-17(10-8-16)23(4,18)19;3-1(4)2(5)6/h5-6H,7-11H2,1-4H3;(H,3,4)(H,5,6)