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

Systemtic Name: 3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(ethylamino)-5-triflyl-phenyl]sulfamoyl]benzoic acid Formula: C16H15F3N2O6S2 MolecularWeight: 452.42531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N2O6S2/c1-2-20-13-7-6-11(28(24,25)16(17,18)19)9-14(13)21-29(26,27)12-5-3-4-10(8-12)15(22)23/h3-9,20-21H,2H2,1H3,(H,22,23)