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

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(2-methylpropoxy)benzenesulfonamide Openeye Name: 4-isobutoxy-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(2-methylpropoxy)benzenesulfonamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(2-methylpropoxy)benzenesulfonamide Traditional Name: 4-isobutoxy-N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Formula: C24H24N2O5S MolecularWeight: 452.52276

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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)N2

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)N2

InChI

InChI=1S/C24H24N2O5S/c1-15(2)14-30-18-6-8-19(9-7-18)32(28,29)26-17-5-11-22-20(13-17)24(27)25-21-12-16(3)4-10-23(21)31-22/h4-13,15,26H,14H2,1-3H3,(H,25,27)