N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-5-fluoranyl-2-methyl-benzenesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-5-fluoranyl-2-methyl-benzenesulfonamide Openeye Name: 5-fluoro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methyl-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-5-fluoro-2-methylbenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-5-fluoro-2-methylbenzenesulfonamide Traditional Name: 5-fluoro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-methyl-benzenesulfonamide Formula: C23H29FN2O4S MolecularWeight: 448.550763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

InChI

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