2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-5-ethyl-benzoic acid

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-5-ethyl-benzoic acid Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-5-ethyl-benzoic acid CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-5-ethylbenzoic acid IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-5-ethylbenzoic acid Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-5-ethyl-benzoic acid Formula: C17H13F6NO4S MolecularWeight: 441.344839

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H13F6NO4S/c1-2-9-3-4-14(13(5-9)15(25)26)24-29(27,28)12-7-10(16(18,19)20)6-11(8-12)17(21,22)23/h3-8,24H,2H2,1H3,(H,25,26)