3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[[2-(trifluoromethyl)phenyl]methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(trifluoromethyl)benzyl]propane-1-sulfonamide Formula: C18H17F3N2O2S3 MolecularWeight: 446.52999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O2S3/c19-18(20,21)14-7-2-1-6-13(14)12-22-28(24,25)11-5-10-26-17-23-15-8-3-4-9-16(15)27-17/h1-4,6-9,22H,5,10-12H2