2-(4-methylsulfonylphenyl)-N-[2-[3,3,3-tris(fluoranyl)propylsulfanyl]-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(4-methylsulfonylphenyl)-N-[2-[3,3,3-tris(fluoranyl)propylsulfanyl]-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(4-methylsulfonylphenyl)-N-[2-(3,3,3-trifluoropropylsulfanyl)-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-methylsulfonylphenyl)-N-[2-(3,3,3-trifluoropropylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-methylsulfonylphenyl)-N-[2-(3,3,3-trifluoropropylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(4-mesylphenyl)-N-[2-(3,3,3-trifluoropropylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C19H17F3N2O3S3 MolecularWeight: 474.54009

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(F)(F)F

InChI

InChI=1S/C19H17F3N2O3S3/c1-30(26,27)14-5-2-12(3-6-14)10-17(25)23-13-4-7-15-16(11-13)29-18(24-15)28-9-8-19(20,21)22/h2-7,11H,8-10H2,1H3,(H,23,25)