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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(trifluoromethyl)phenyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(trifluoromethyl)phenyl]propane-1-sulfonamide Formula: C17H15F3N2O2S3 MolecularWeight: 432.50341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N2O2S3/c18-17(19,20)12-5-3-6-13(11-12)22-27(23,24)10-4-9-25-16-21-14-7-1-2-8-15(14)26-16/h1-3,5-8,11,22H,4,9-10H2