6-pyrrolidin-1-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-pyrrolidin-1-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-pyrrolidin-1-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-(1-pyrrolidinylsulfonyl)-2-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-pyrrolidin-1-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-pyrrolidinosulfonyl-2-[2-(trifluoromethyl)phenyl]cinchoninic acid Formula: C21H17F3N2O4S MolecularWeight: 450.43089

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H17F3N2O4S/c22-21(23,24)17-6-2-1-5-14(17)19-12-16(20(27)28)15-11-13(7-8-18(15)25-19)31(29,30)26-9-3-4-10-26/h1-2,5-8,11-12H,3-4,9-10H2,(H,27,28)