ethanedioic acid; 1-phenyl-4-[1-(phenylmethyl)sulfonylpiperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-phenyl-4-[1-(phenylmethyl)sulfonylpiperidin-4-yl]piperazine Openeye Name: 1-(1-benzylsulfonyl-4-piperidyl)-4-phenyl-piperazine; oxalic acid CAS Name: oxalic acid; 1-phenyl-4-[1-(phenylmethyl)sulfonyl-4-piperidinyl]piperazine IUPAC Name: 1-(1-benzylsulfonylpiperidin-4-yl)-4-phenylpiperazine; oxalic acid Traditional Name: 1-(1-benzylsulfonyl-4-piperidyl)-4-phenyl-piperazine; oxalic acid Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O2S.C2H2O4/c26-28(27,19-20-7-3-1-4-8-20)25-13-11-22(12-14-25)24-17-15-23(16-18-24)21-9-5-2-6-10-21;3-1(4)2(5)6/h1-10,22H,11-19H2;(H,3,4)(H,5,6)