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

Systemtic Name: 3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-chloro-2-methyl-benzenesulfonamide CAS Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methylbenzenesulfonamide IUPAC Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methylbenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-chloro-2-methyl-benzenesulfonamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-5-11-24-17-12-15(9-10-18(17)28-13-21(3,4)20(24)25)23-29(26,27)19-8-6-7-16(22)14(19)2/h5-10,12,23H,1,11,13H2,2-4H3