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

Systemtic Name: 2,4-bis(chloranyl)-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-methyl-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2,4-dichloro-5-methyl-benzenesulfonamide CAS Name: 2,4-dichloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-methylbenzenesulfonamide IUPAC Name: 2,4-dichloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-methylbenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2,4-dichloro-5-methyl-benzenesulfonamide Formula: C21H22Cl2N2O4S MolecularWeight: 469.38138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C

InChI

InChI=1S/C21H22Cl2N2O4S/c1-5-8-25-17-10-14(6-7-18(17)29-12-21(3,4)20(25)26)24-30(27,28)19-9-13(2)15(22)11-16(19)23/h5-7,9-11,24H,1,8,12H2,2-4H3