N-(3-methylbutyl)-4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide

Systemtic Name: N-(3-methylbutyl)-4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Openeye Name: N-isopentyl-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide CAS Name: N-(3-methylbutyl)-4-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]methyl]benzenesulfonamide IUPAC Name: N-(3-methylbutyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Traditional Name: N-isoamyl-4-[[2-keto-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Formula: C22H22F3NO4S MolecularWeight: 453.47459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNS(=O)(=O)C1=CC=C(C=C1)CC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

Isomeric SMILES

CC(C)CCNS(=O)(=O)C1=CC=C(C=C1)CC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C22H22F3NO4S/c1-14(2)9-10-26-31(28,29)17-6-3-15(4-7-17)11-16-5-8-20-18(12-16)19(22(23,24)25)13-21(27)30-20/h3-8,12-14,26H,9-11H2,1-2H3