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

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzenesulfonamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzenesulfonamide Formula: C21H17N3O6S MolecularWeight: 439.44118

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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=CC(=C4)[N+](=O)[O-])C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)N2C

InChI

InChI=1S/C21H17N3O6S/c1-13-6-8-20-18(10-13)23(2)21(25)17-11-14(7-9-19(17)30-20)22-31(28,29)16-5-3-4-15(12-16)24(26)27/h3-12,22H,1-2H3