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

Systemtic Name: ethanedioic acid; 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenyl-piperazine Openeye Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]-4-phenyl-piperazine; oxalic acid Formula: C23H28FN3O6S MolecularWeight: 493.548323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O2S.C2H2O4/c22-18-6-8-21(9-7-18)28(26,27)25-12-10-20(11-13-25)24-16-14-23(15-17-24)19-4-2-1-3-5-19;3-1(4)2(5)6/h1-9,20H,10-17H2;(H,3,4)(H,5,6)