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

Systemtic Name: 2,5-bis(chloranyl)-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2,5-dichloro-benzenesulfonamide CAS Name: 2,5-dichloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 2,5-dichloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2,5-dichloro-benzenesulfonamide Formula: C20H20Cl2N2O4S MolecularWeight: 455.3548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2O4S/c1-4-9-24-16-11-14(6-8-17(16)28-12-20(2,3)19(24)25)23-29(26,27)18-10-13(21)5-7-15(18)22/h4-8,10-11,23H,1,9,12H2,2-3H3