N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-(2-fluorophenyl)methanesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3F)OCC(C1=O)(C)C

InChI

InChI=1S/C23H29FN2O4S/c1-16(2)11-12-26-20-10-9-18(13-21(20)30-15-23(3,4)22(26)27)25-31(28,29)14-17-7-5-6-8-19(17)24/h5-10,13,16,25H,11-12,14-15H2,1-4H3