1-(4-chlorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C18H20ClN3O6S MolecularWeight: 441.8859

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18ClN3O2S.C2H2O4/c17-15-3-5-16(6-4-15)23(21,22)20-10-8-19(9-11-20)13-14-2-1-7-18-12-14;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)