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

Systemtic Name: 1-[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H22ClFN2O5S MolecularWeight: 480.936883

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN2O5S/c23-18-13-15(6-7-19(18)24)32(30,31)25-11-8-14(9-12-25)21(27)26-10-2-4-16-17(22(28)29)3-1-5-20(16)26/h1,3,5-7,13-14H,2,4,8-12H2,(H,28,29)