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

Systemtic Name: ethanedioic acid; 1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(2,3,4-trimethoxybenzyl)piperazine; oxalic acid Formula: C22H27N3O11S MolecularWeight: 541.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O7S.C2H2O4/c1-28-17-9-8-15(19(29-2)20(17)30-3)14-21-10-12-22(13-11-21)31(26,27)18-7-5-4-6-16(18)23(24)25;3-1(4)2(5)6/h4-9H,10-14H2,1-3H3;(H,3,4)(H,5,6)