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

Systemtic Name: N-(4-butan-2-yl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-cyano-benzenesulfonamide Openeye Name: 2-cyano-N-(3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-cyanobenzenesulfonamide IUPAC Name: N-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-cyanobenzenesulfonamide Traditional Name: 2-cyano-N-(3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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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)OCC1=O

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)OCC1=O

InChI

InChI=1S/C20H21N3O4S/c1-3-14(2)23-12-16-10-17(8-9-18(16)27-13-20(23)24)22-28(25,26)19-7-5-4-6-15(19)11-21/h4-10,14,22H,3,12-13H2,1-2H3