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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[[4-(trifluoromethyl)phenyl]methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(trifluoromethyl)benzyl]propane-1-sulfonamide Formula: C18H17F3N2O2S3 MolecularWeight: 446.52999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

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