3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-fluoranyl-3-(trifluoromethyl)phenyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-fluoranyl-3-(trifluoromethyl)phenyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propane-1-sulfonamide Formula: C17H14F4N2O2S3 MolecularWeight: 450.493873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC(=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC(=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C17H14F4N2O2S3/c18-13-7-6-11(10-12(13)17(19,20)21)23-28(24,25)9-3-8-26-16-22-14-4-1-2-5-15(14)27-16/h1-2,4-7,10,23H,3,8-9H2