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

Systemtic Name: N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-cyano-benzenesulfonamide Openeye Name: 2-cyano-N-(2-methyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-cyanobenzenesulfonamide IUPAC Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-cyanobenzenesulfonamide Traditional Name: 2-cyano-N-(3-keto-2-methyl-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)OC(C1=O)C

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)OC(C1=O)C

InChI

InChI=1S/C21H23N3O4S/c1-4-14(2)24-13-17-11-18(9-10-19(17)28-15(3)21(24)25)23-29(26,27)20-8-6-5-7-16(20)12-22/h5-11,14-15,23H,4,13H2,1-3H3