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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1=O)CC=C)C

InChI

InChI=1S/C20H22N2O4S/c1-4-12-22-17-11-10-15(13-18(17)26-14-20(2,3)19(22)23)21-27(24,25)16-8-6-5-7-9-16/h4-11,13,21H,1,12,14H2,2-3H3