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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)pyridine-3-sulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)pyridine-3-sulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-pyridinesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)pyridine-3-sulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)pyridine-3-sulfonamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-4-10-22-16-8-7-14(11-17(16)26-13-19(2,3)18(22)23)21-27(24,25)15-6-5-9-20-12-15/h4-9,11-12,21H,1,10,13H2,2-3H3