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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3NO4S/c1-3-4-11-26(2)31(28,29)17-8-5-15(6-9-17)12-16-7-10-20-18(13-16)19(22(23,24)25)14-21(27)30-20/h5-10,13-14H,3-4,11-12H2,1-2H3