1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[1-(4-fluorophenyl)sulfonylisonipecotoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H23FN2O5S/c23-16-6-8-17(9-7-16)31(29,30)24-13-10-15(11-14-24)21(26)25-12-2-4-18-19(22(27)28)3-1-5-20(18)25/h1,3,5-9,15H,2,4,10-14H2,(H,27,28)