3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-fluoranyl-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-chloro-4-fluoro-benzenesulfonamide CAS Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-fluorobenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-chloro-4-fluoro-benzenesulfonamide Formula: C20H20ClFN2O4S MolecularWeight: 438.900203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN2O4S/c1-4-9-24-17-10-13(5-8-18(17)28-12-20(2,3)19(24)25)23-29(26,27)14-6-7-16(22)15(21)11-14/h4-8,10-11,23H,1,9,12H2,2-3H3