1-[4-fluoranyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-fluoranyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-fluoro-3-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-fluoro-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-fluoro-3-(4-methylpiperidino)sulfonyl-benzoyl]isonipecotic acid Formula: C19H25FN2O5S MolecularWeight: 412.475603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)O)F

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C19H25FN2O5S/c1-13-4-10-22(11-5-13)28(26,27)17-12-15(2-3-16(17)20)18(23)21-8-6-14(7-9-21)19(24)25/h2-3,12-14H,4-11H2,1H3,(H,24,25)