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

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

Systemtic Name:6-morpholin-4-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
Openeye Name:6-morpholinosulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CAS Name:6-(4-morpholinylsulfonyl)-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid
IUPAC Name:6-morpholin-4-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
Traditional Name:6-morpholinosulfonyl-2-[3-(trifluoromethyl)phenyl]cinchoninic acid
Formula: C21H17F3N2O5S
MolecularWeight: 466.43029
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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=CC=C4)C(F)(F)F


Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=CC=C4)C(F)(F)F


InChI

InChI=1S/C21H17F3N2O5S/c22-21(23,24)14-3-1-2-13(10-14)19-12-17(20(27)28)16-11-15(4-5-18(16)25-19)32(29,30)26-6-8-31-9-7-26/h1-5,10-12H,6-9H2,(H,27,28)


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