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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: 4-fluoro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-methyl-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: 4-fluoro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-methyl-benzenesulfonamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O4S/c1-14(2)12-25-19-9-6-16(11-20(19)29-13-22(4,5)21(25)26)24-30(27,28)17-7-8-18(23)15(3)10-17/h6-11,14,24H,12-13H2,1-5H3