1-(3,4-dimethoxyphenyl)-N-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide Openeye Name: 1-(3,4-dimethoxyphenyl)-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide CAS Name: 1-(3,4-dimethoxyphenyl)-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide Traditional Name: 1-(3,4-dimethoxyphenyl)-N-(6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O)OC

InChI

InChI=1S/C22H20N2O6S/c1-28-20-9-7-14(11-21(20)29-2)13-31(26,27)24-15-8-10-18-16(12-15)22(25)23-17-5-3-4-6-19(17)30-18/h3-12,24H,13H2,1-2H3,(H,23,25)