N-[4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-cyano-benzenesulfonamide

Systemtic Name: N-[4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-cyano-benzenesulfonamide Openeye Name: N-[4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-cyano-benzenesulfonamide CAS Name: N-[4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-cyanobenzenesulfonamide IUPAC Name: N-[4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-cyanobenzenesulfonamide Traditional Name: N-[4-(2-chlorobenzyl)-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl]-2-cyano-benzenesulfonamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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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)CC4=CC=CC=C4Cl

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H22ClN3O4S/c1-2-22-25(30)29(15-18-8-3-5-9-21(18)26)16-19-13-20(11-12-23(19)33-22)28-34(31,32)24-10-6-4-7-17(24)14-27/h3-13,22,28H,2,15-16H2,1H3