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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)propane-1-sulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)propane-1-sulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-propanesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)propane-1-sulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)propane-1-sulfonamide Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-5-9-19-14-8-7-13(18-24(21,22)10-6-2)11-15(14)23-12-17(3,4)16(19)20/h5,7-8,11,18H,1,6,9-10,12H2,2-4H3