ethanedioic acid; 1-(2-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(2-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C24H30N4O8S MolecularWeight: 534.582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N4O4S.C2H2O4/c27-26(28)21-8-4-5-9-22(21)31(29,30)25-16-14-24(15-17-25)20-10-12-23(13-11-20)18-19-6-2-1-3-7-19;3-1(4)2(5)6/h1-9,20H,10-18H2;(H,3,4)(H,5,6)