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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3,4-dimethyl-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3,4-dimethyl-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3,4-dimethylbenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3,4-dimethylbenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3,4-dimethyl-benzenesulfonamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C)C

InChI

InChI=1S/C22H26N2O4S/c1-6-11-24-19-13-17(8-10-20(19)28-14-22(4,5)21(24)25)23-29(26,27)18-9-7-15(2)16(3)12-18/h6-10,12-13,23H,1,11,14H2,2-5H3