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

Systemtic Name: N,N-dibutyl-4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Openeye Name: N,N-dibutyl-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide CAS Name: N,N-dibutyl-4-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]methyl]benzenesulfonamide IUPAC Name: N,N-dibutyl-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Traditional Name: N,N-dibutyl-4-[[2-keto-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Formula: C25H28F3NO4S MolecularWeight: 495.55433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28F3NO4S/c1-3-5-13-29(14-6-4-2)34(31,32)20-10-7-18(8-11-20)15-19-9-12-23-21(16-19)22(25(26,27)28)17-24(30)33-23/h7-12,16-17H,3-6,13-15H2,1-2H3