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

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-trimethoxybenzyl)piperazine; oxalic acid Formula: C23H30N2O10S MolecularWeight: 526.5567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O6S.C2H2O4/c1-26-17-5-7-18(8-6-17)30(24,25)23-11-9-22(10-12-23)15-16-13-19(27-2)21(29-4)20(14-16)28-3;3-1(4)2(5)6/h5-8,13-14H,9-12,15H2,1-4H3;(H,3,4)(H,5,6)