4-bromanyl-N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Openeye Name: 4-bromo-N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide CAS Name: 4-bromo-N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)benzenesulfonamide IUPAC Name: 4-bromo-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Traditional Name: 4-bromo-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N2C

InChI

InChI=1S/C21H17BrN2O4S/c1-13-3-9-20-18(11-13)24(2)21(25)17-12-15(6-10-19(17)28-20)23-29(26,27)16-7-4-14(22)5-8-16/h3-12,23H,1-2H3