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

Systemtic Name: N-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-cyano-benzenesulfonamide Openeye Name: 2-cyano-N-(2-ethyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-cyanobenzenesulfonamide IUPAC Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-cyanobenzenesulfonamide Traditional Name: 2-cyano-N-(2-ethyl-3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-4-15(3)25-14-17-12-18(10-11-20(17)29-19(5-2)22(25)26)24-30(27,28)21-9-7-6-8-16(21)13-23/h6-12,15,19,24H,4-5,14H2,1-3H3