N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-[4-(trifluoromethyl)benzyl]nicotinamide Formula: C22H16F3N3O4S2 MolecularWeight: 507.50535

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CN(C3=O)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CN(C3=O)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O4S2/c1-34(31,32)15-8-9-17-18(11-15)33-21(26-17)27-19(29)16-3-2-10-28(20(16)30)12-13-4-6-14(7-5-13)22(23,24)25/h2-11H,12H2,1H3,(H,26,27,29)