2-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C19H17F3N2O2S2 MolecularWeight: 426.47569

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17F3N2O2S2/c20-19(21,22)14-7-1-4-10-17(14)28(25,26)24-11-5-6-13(12-24)18-23-15-8-2-3-9-16(15)27-18/h1-4,7-10,13H,5-6,11-12H2/t13-/m0/s1