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

Systemtic Name: 2-cyano-N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 2-cyano-N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide CAS Name: 2-cyano-N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 2-cyano-N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 2-cyano-N-[3-keto-4-[2-(2-methoxyphenyl)ethyl]-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCN2CC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4C#N)OCC2=O

Isomeric SMILES

COC1=CC=CC=C1CCN2CC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4C#N)OCC2=O

InChI

InChI=1S/C25H23N3O5S/c1-32-22-8-4-2-6-18(22)12-13-28-16-20-14-21(10-11-23(20)33-17-25(28)29)27-34(30,31)24-9-5-3-7-19(24)15-26/h2-11,14,27H,12-13,16-17H2,1H3