1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-piperonyl-piperazine; oxalic acid Formula: C20H21ClN2O8S MolecularWeight: 484.90734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19ClN2O4S.C2H2O4/c19-15-2-4-16(5-3-15)26(22,23)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)25-13-24-17;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)