N-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]methanesulfonamide Openeye Name: N-[[2,2-dimethyl-6-nitro-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]methanesulfonamide CAS Name: N-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]methanesulfonamide Traditional Name: N-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]methanesulfonamide Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)CNS(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)CNS(=O)(=O)C)C

InChI

InChI=1S/C21H21N3O6S/c1-21(2)17(11-22-31(3,28)29)19(16-10-14(24(26)27)8-9-18(16)30-21)23-12-13-6-4-5-7-15(13)20(23)25/h4-10,22H,11-12H2,1-3H3