ethanedioic acid; 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methyl-piperidine

Systemtic Name: ethanedioic acid; 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methyl-piperidine Openeye Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]-3-methyl-piperidine; oxalic acid CAS Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-3-methylpiperidine; oxalic acid IUPAC Name: 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine; oxalic acid Traditional Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]-3-methyl-piperidine; oxalic acid Formula: C19H27FN2O6S MolecularWeight: 430.490883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25FN2O2S.C2H2O4/c1-14-3-2-10-19(13-14)16-8-11-20(12-9-16)23(21,22)17-6-4-15(18)5-7-17;3-1(4)2(5)6/h4-7,14,16H,2-3,8-13H2,1H3;(H,3,4)(H,5,6)