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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H18F3N3O3S2 MolecularWeight: 469.50043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H18F3N3O3S2/c21-20(22,23)14-5-1-4-8-17(14)31(28,29)26-11-9-13(10-12-26)18(27)25-19-24-15-6-2-3-7-16(15)30-19/h1-8,13H,9-12H2,(H,24,25,27)