methyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]butanoate

Systemtic Name: methyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]butanoate Openeye Name: methyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]butanoate CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]butanoate Traditional Name: 4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]butyric acid methyl ester Formula: C13H13F6NO4S MolecularWeight: 393.302039

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)CCCNS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H13F6NO4S/c1-24-11(21)3-2-4-20-25(22,23)10-6-8(12(14,15)16)5-9(7-10)13(17,18)19/h5-7,20H,2-4H2,1H3