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6-piperidin-1-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

6-piperidin-1-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name:6-piperidin-1-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
Openeye Name:6-(1-piperidylsulfonyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CAS Name:6-(1-piperidinylsulfonyl)-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid
IUPAC Name:6-piperidin-1-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
Traditional Name:6-piperidinosulfonyl-2-[3-(trifluoromethyl)phenyl]cinchoninic acid
Formula: C22H19F3N2O4S
MolecularWeight: 464.45747
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=CC=C4)C(F)(F)F


Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=CC=C4)C(F)(F)F


InChI

InChI=1S/C22H19F3N2O4S/c23-22(24,25)15-6-4-5-14(11-15)20-13-18(21(28)29)17-12-16(7-8-19(17)26-20)32(30,31)27-9-2-1-3-10-27/h4-8,11-13H,1-3,9-10H2,(H,28,29)


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