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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-fluoranyl-4-methoxy-benzenesulfonamide Openeye Name: 3-fluoro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-methoxy-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-fluoro-4-methoxybenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: 3-fluoro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-methoxy-benzenesulfonamide Formula: C23H29FN2O5S MolecularWeight: 464.550163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)F)OCC(C1=O)(C)C

InChI

InChI=1S/C23H29FN2O5S/c1-15(2)10-11-26-19-8-6-16(12-21(19)31-14-23(3,4)22(26)27)25-32(28,29)17-7-9-20(30-5)18(24)13-17/h6-9,12-13,15,25H,10-11,14H2,1-5H3