ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-tosyl-piperazine; oxalic acid Formula: C23H30N2O8S MolecularWeight: 494.5579

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O4S.C2H2O4/c1-4-27-21-15-18(7-10-20(21)26-3)16-22-11-13-23(14-12-22)28(24,25)19-8-5-17(2)6-9-19;3-1(4)2(5)6/h5-10,15H,4,11-14,16H2,1-3H3;(H,3,4)(H,5,6)