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

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H20F3N3O4S2 MolecularWeight: 499.52641

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H20F3N3O4S2/c1-31-15-6-4-7-16-18(15)25-20(32-16)26-19(28)13-9-11-27(12-10-13)33(29,30)17-8-3-2-5-14(17)21(22,23)24/h2-8,13H,9-12H2,1H3,(H,25,26,28)