N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H20F3N3O3S3 MolecularWeight: 515.59201

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S3/c1-31-20-26-16-7-6-14(12-17(16)32-20)25-19(28)13-8-10-27(11-9-13)33(29,30)18-5-3-2-4-15(18)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,28)