N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)CC3=CC(=CC=C3)F)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)CC3=CC(=CC=C3)F)N(C1=O)CC=C)C

InChI

InChI=1S/C21H23FN2O4S/c1-4-10-24-18-9-8-17(12-19(18)28-14-21(2,3)20(24)25)23-29(26,27)13-15-6-5-7-16(22)11-15/h4-9,11-12,23H,1,10,13-14H2,2-3H3