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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2,4-dimethoxybenzyl)-4-tosyl-piperazine; oxalic acid Formula: C22H28N2O8S MolecularWeight: 480.53132

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H26N2O4S.C2H2O4/c1-16-4-8-19(9-5-16)27(23,24)22-12-10-21(11-13-22)15-17-6-7-18(25-2)14-20(17)26-3;3-1(4)2(5)6/h4-9,14H,10-13,15H2,1-3H3;(H,3,4)(H,5,6)