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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-ethyl-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-ethyl-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-ethylbenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-ethylbenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-ethyl-benzenesulfonamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C

InChI

InChI=1S/C22H26N2O4S/c1-5-13-24-19-12-9-17(14-20(19)28-15-22(3,4)21(24)25)23-29(26,27)18-10-7-16(6-2)8-11-18/h5,7-12,14,23H,1,6,13,15H2,2-4H3