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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-o-veratryl-piperazine; oxalic acid Formula: C22H28N2O9S MolecularWeight: 496.53072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S.C2H2O4/c1-25-17-7-9-18(10-8-17)28(23,24)22-13-11-21(12-14-22)15-16-5-4-6-19(26-2)20(16)27-3;3-1(4)2(5)6/h4-10H,11-15H2,1-3H3;(H,3,4)(H,5,6)