2-[4-bromanyl-3,4,4-tris(fluoranyl)butyl]sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[4-bromanyl-3,4,4-tris(fluoranyl)butyl]sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-(4-bromo-3,4,4-trifluoro-butyl)sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[(4-bromo-3,4,4-trifluorobutyl)thio]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-(4-bromo-3,4,4-trifluorobutyl)sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(4-bromo-3,4,4-trifluoro-butyl)thio]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Formula: C15H18BrF3N2O3S2 MolecularWeight: 475.34423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCC(C(F)(F)Br)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCC(C(F)(F)Br)F

InChI

InChI=1S/C15H18BrF3N2O3S2/c1-3-21(4-2)26(22,23)10-5-6-12-11(9-10)20-14(24-12)25-8-7-13(17)15(16,18)19/h5-6,9,13H,3-4,7-8H2,1-2H3