N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpropyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C18H17F3N2O3S3 MolecularWeight: 462.52939

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H17F3N2O3S3/c1-27-11-10-15(17-22-14-4-2-3-5-16(14)28-17)23-29(24,25)13-8-6-12(7-9-13)26-18(19,20)21/h2-9,15,23H,10-11H2,1H3