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

Systemtic Name: 2-cyano-N-(4-cyclopropyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 2-cyano-N-(4-cyclopropyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 2-cyano-N-(4-cyclopropyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 2-cyano-N-(4-cyclopropyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: 2-cyano-N-(4-cyclopropyl-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)C4CC4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)C4CC4

InChI

InChI=1S/C21H21N3O4S/c1-2-18-21(25)24(17-8-9-17)13-15-11-16(7-10-19(15)28-18)23-29(26,27)20-6-4-3-5-14(20)12-22/h3-7,10-11,17-18,23H,2,8-9,13H2,1H3