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

Systemtic Name: 2-cyano-N-(4-cyclohexyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 2-cyano-N-(4-cyclohexyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 2-cyano-N-(4-cyclohexyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 2-cyano-N-(4-cyclohexyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: 2-cyano-N-(4-cyclohexyl-3-keto-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4C#N)OCC2=O

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4C#N)OCC2=O

InChI

InChI=1S/C22H23N3O4S/c23-13-16-6-4-5-9-21(16)30(27,28)24-18-10-11-20-17(12-18)14-25(22(26)15-29-20)19-7-2-1-3-8-19/h4-6,9-12,19,24H,1-3,7-8,14-15H2