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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(3-ethoxy-4-methoxy-benzyl)piperazine; oxalic acid Formula: C22H27ClN2O8S MolecularWeight: 514.97638

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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)Cl)OC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O4S.C2H2O4/c1-3-27-20-14-16(4-9-19(20)26-2)15-22-10-12-23(13-11-22)28(24,25)18-7-5-17(21)6-8-18;3-1(4)2(5)6/h4-9,14H,3,10-13,15H2,1-2H3;(H,3,4)(H,5,6)