3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-methyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-methyl-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-chloro-4-methyl-benzenesulfonamide CAS Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-methylbenzenesulfonamide IUPAC Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-methylbenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-chloro-4-methyl-benzenesulfonamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C)Cl

InChI

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