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

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: oxalic acid; 1-(p-tolylsulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: oxalic acid; 1-tosyl-4-(2,3,4-trimethoxybenzyl)piperazine Formula: C23H30N2O9S MolecularWeight: 510.5573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O5S.C2H2O4/c1-16-5-8-18(9-6-16)29(24,25)23-13-11-22(12-14-23)15-17-7-10-19(26-2)21(28-4)20(17)27-3;3-1(4)2(5)6/h5-10H,11-15H2,1-4H3;(H,3,4)(H,5,6)