N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: 4-ethoxy-3-fluoro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C23H29FN2O5S MolecularWeight: 464.550163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC(C)C)(C)C)F

InChI

InChI=1S/C23H29FN2O5S/c1-6-30-20-10-8-17(12-18(20)24)32(28,29)25-16-7-9-21-19(11-16)26(13-15(2)3)22(27)23(4,5)14-31-21/h7-12,15,25H,6,13-14H2,1-5H3