3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[2-(ethylamino)-5-triflyl-phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C17H17F3N2O6S2 MolecularWeight: 466.45189

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C17H17F3N2O6S2/c1-3-21-13-7-6-12(29(25,26)17(18,19)20)9-14(13)22-30(27,28)15-8-11(16(23)24)5-4-10(15)2/h4-9,21-22H,3H2,1-2H3,(H,23,24)