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

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-methyl-benzenesulfonamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-3-methyl-benzenesulfonamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-3-methylbenzenesulfonamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3-methylbenzenesulfonamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-3-methyl-benzenesulfonamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C22H20N2O4S/c1-3-24-19-9-4-5-10-21(19)28-20-12-11-16(14-18(20)22(24)25)23-29(26,27)17-8-6-7-15(2)13-17/h4-14,23H,3H2,1-2H3