2-cyano-N-(4-cyclohexyl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide

Systemtic Name: 2-cyano-N-(4-cyclohexyl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 2-cyano-N-(4-cyclohexyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 2-cyano-N-(4-cyclohexyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 2-cyano-N-(4-cyclohexyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: 2-cyano-N-(4-cyclohexyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)C4CCCCC4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)C4CCCCC4

InChI

InChI=1S/C23H25N3O4S/c1-16-23(27)26(20-8-3-2-4-9-20)15-18-13-19(11-12-21(18)30-16)25-31(28,29)22-10-6-5-7-17(22)14-24/h5-7,10-13,16,20,25H,2-4,8-9,15H2,1H3