N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,5-dimethoxy-benzenesulfonamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,5-dimethoxybenzenesulfonamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,5-dimethoxy-benzenesulfonamide Formula: C21H17ClN2O6S MolecularWeight: 460.88748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C21H17ClN2O6S/c1-28-14-5-8-19(29-2)20(11-14)31(26,27)24-13-4-7-17-15(10-13)21(25)23-16-9-12(22)3-6-18(16)30-17/h3-11,24H,1-2H3,(H,23,25)