N-(1-adamantyl)-3-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-3-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(1-adamantyl)-3-[(4-cyano-3-oxo-isothiazol-5-yl)amino]-5-(trifluoromethyl)benzenesulfonamide CAS Name: N-(1-adamantyl)-3-[(4-cyano-3-oxo-5-isothiazolyl)amino]-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(1-adamantyl)-3-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(1-adamantyl)-3-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]-5-(trifluoromethyl)benzenesulfonamide Formula: C21H21F3N4O3S2 MolecularWeight: 498.54165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC(=CC(=C4)NC5=C(C(=O)NS5)C#N)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC(=CC(=C4)NC5=C(C(=O)NS5)C#N)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O3S2/c22-21(23,24)14-4-15(26-19-17(10-25)18(29)27-32-19)6-16(5-14)33(30,31)28-20-7-11-1-12(8-20)3-13(2-11)9-20/h4-6,11-13,26,28H,1-3,7-9H2,(H,27,29)