3-ethyl-5-methyl-4-[3,3,3-tris(fluoranyl)propanoylamino]benzenesulfonyl chloride

Systemtic Name: 3-ethyl-5-methyl-4-[3,3,3-tris(fluoranyl)propanoylamino]benzenesulfonyl chloride Openeye Name: 3-ethyl-5-methyl-4-(3,3,3-trifluoropropanoylamino)benzenesulfonyl chloride CAS Name: 3-ethyl-5-methyl-4-[(3,3,3-trifluoro-1-oxopropyl)amino]benzenesulfonyl chloride IUPAC Name: 3-ethyl-5-methyl-4-(3,3,3-trifluoropropanoylamino)benzenesulfonyl chloride Traditional Name: 3-ethyl-5-methyl-4-(3,3,3-trifluoropropanoylamino)benzenesulfonyl chloride Formula: C12H13ClF3NO3S MolecularWeight: 343.74973

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)S(=O)(=O)Cl)C)NC(=O)CC(F)(F)F

Isomeric SMILES

CCC1=C(C(=CC(=C1)S(=O)(=O)Cl)C)NC(=O)CC(F)(F)F

InChI

InChI=1S/C12H13ClF3NO3S/c1-3-8-5-9(21(13,19)20)4-7(2)11(8)17-10(18)6-12(14,15)16/h4-5H,3,6H2,1-2H3,(H,17,18)