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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H22F3N3O3S2 MolecularWeight: 497.55359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C

InChI

InChI=1S/C22H22F3N3O3S2/c1-13-11-14(2)19-17(12-13)32-21(26-19)27-20(29)15-7-9-28(10-8-15)33(30,31)18-6-4-3-5-16(18)22(23,24)25/h3-6,11-12,15H,7-10H2,1-2H3,(H,26,27,29)