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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)ethanesulfonamide Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC=C

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC=C

InChI

InChI=1S/C16H22N2O4S/c1-5-9-18-13-8-7-12(17-23(20,21)6-2)10-14(13)22-11-16(3,4)15(18)19/h5,7-8,10,17H,1,6,9,11H2,2-4H3