ethanedioic acid; 1-(phenylmethyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-benzylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: oxalic acid; 1-(phenylmethyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-benzylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(3,4,5-trimethoxybenzyl)piperazine; oxalic acid Formula: C23H30N2O9S MolecularWeight: 510.5573

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O5S.C2H2O4/c1-26-19-13-18(14-20(27-2)21(19)28-3)15-22-9-11-23(12-10-22)29(24,25)16-17-7-5-4-6-8-17;3-1(4)2(5)6/h4-8,13-14H,9-12,15-16H2,1-3H3;(H,3,4)(H,5,6)