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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: 4-fluoro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-methyl-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: 4-fluoro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-methyl-benzenesulfonamide Formula: C23H29FN2O4S MolecularWeight: 448.550763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)F

InChI

InChI=1S/C23H29FN2O4S/c1-15(2)10-11-26-20-13-17(6-9-21(20)30-14-23(4,5)22(26)27)25-31(28,29)18-7-8-19(24)16(3)12-18/h6-9,12-13,15,25H,10-11,14H2,1-5H3