N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2,6-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2,6-bis(fluoranyl)benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2,6-difluoro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2,6-difluorobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2,6-difluorobenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2,6-difluoro-benzenesulfonamide Formula: C20H20F2N2O4S MolecularWeight: 422.445606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=CC=C3F)F)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=CC=C3F)F)N(C1=O)CC=C)C

InChI

InChI=1S/C20H20F2N2O4S/c1-4-10-24-16-9-8-13(11-17(16)28-12-20(2,3)19(24)25)23-29(26,27)18-14(21)6-5-7-15(18)22/h4-9,11,23H,1,10,12H2,2-3H3