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

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid Formula: C24H30FN3O6S MolecularWeight: 507.574903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O2S.C2H2O4/c23-20-6-8-22(9-7-20)29(27,28)26-16-14-25(15-17-26)21-10-12-24(13-11-21)18-19-4-2-1-3-5-19;3-1(4)2(5)6/h1-9,21H,10-18H2;(H,3,4)(H,5,6)