N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-(3-oxidanylpropyl)-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-(3-oxidanylpropyl)-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(3-hydroxypropyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-(3-hydroxypropyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(3-hydroxypropyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(3-hydroxypropyl)-N-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4S/c1-14-6-7-15-11-16(20(28)25-19(15)10-14)13-26(8-3-9-27)31(29,30)18-5-2-4-17(12-18)21(22,23)24/h2,4-7,10-12,27H,3,8-9,13H2,1H3,(H,25,28)