1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]isonipecotic acid Formula: C18H23FN2O5S MolecularWeight: 398.449023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H23FN2O5S/c19-15-3-5-16(6-4-15)27(25,26)21-9-1-2-14(12-21)17(22)20-10-7-13(8-11-20)18(23)24/h3-6,13-14H,1-2,7-12H2,(H,23,24)/t14-/m0/s1