1-(4-chlorophenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(3-nitrobenzyl)piperazine; oxalic acid Formula: C19H20ClN3O8S MolecularWeight: 485.8954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18ClN3O4S.C2H2O4/c18-15-4-6-17(7-5-15)26(24,25)20-10-8-19(9-11-20)13-14-2-1-3-16(12-14)21(22)23;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)