N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-1-(4-fluorophenyl)methanesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-1-(4-fluorophenyl)methanesulfonamide Openeye Name: 1-(4-fluorophenyl)-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)methanesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-(4-fluorophenyl)methanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-(4-fluorophenyl)methanesulfonamide Traditional Name: 1-(4-fluorophenyl)-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)methanesulfonamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=C(C=C3)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=C(C=C3)F)OCC(C1=O)(C)C

InChI

InChI=1S/C22H27FN2O4S/c1-15(2)12-25-19-11-18(9-10-20(19)29-14-22(3,4)21(25)26)24-30(27,28)13-16-5-7-17(23)8-6-16/h5-11,15,24H,12-14H2,1-4H3