ethyl 4-[(4-piperidin-1-ylsulfonylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-piperidin-1-ylsulfonylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(1-piperidylsulfonyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(1-piperidinylsulfonyl)anilino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-piperidin-1-ylsulfonylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-piperidinosulfonylanilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C24H24F3N3O4S MolecularWeight: 507.52527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C(F)(F)F

InChI

InChI=1S/C24H24F3N3O4S/c1-2-34-23(31)20-15-28-21-14-16(24(25,26)27)6-11-19(21)22(20)29-17-7-9-18(10-8-17)35(32,33)30-12-4-3-5-13-30/h6-11,14-15H,2-5,12-13H2,1H3,(H,28,29)