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

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-(2-methylpropoxy)benzenesulfonamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-isobutoxy-benzenesulfonamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-(2-methylpropoxy)benzenesulfonamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-(2-methylpropoxy)benzenesulfonamide Traditional Name: 4-isobutoxy-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Formula: C25H26N2O5S MolecularWeight: 466.54934

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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)OCC(C)C)C(=O)N2C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S/c1-16(2)15-31-19-7-9-20(10-8-19)33(29,30)26-18-6-12-23-21(14-18)25(28)27(4)22-13-17(3)5-11-24(22)32-23/h5-14,16,26H,15H2,1-4H3