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

Systemtic Name: 2-cyano-N-(2-methyl-3-oxidanylidene-4-phenethyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 2-cyano-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 2-cyano-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 2-cyano-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: 2-cyano-N-(3-keto-2-methyl-4-phenethyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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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)CCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-18-25(29)28(14-13-19-7-3-2-4-8-19)17-21-15-22(11-12-23(21)32-18)27-33(30,31)24-10-6-5-9-20(24)16-26/h2-12,15,18,27H,13-14,17H2,1H3