3-[[5-ethoxycarbonyl-2-(ethylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[5-ethoxycarbonyl-2-(ethylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[5-ethoxycarbonyl-2-(ethylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[5-ethoxycarbonyl-2-(ethylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[5-ethoxycarbonyl-2-(ethylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[5-carbethoxy-2-(ethylamino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

InChI

InChI=1S/C20H24N2O6S/c1-5-21-16-8-7-14(20(25)28-6-2)10-17(16)22-29(26,27)18-11-15(19(23)24)9-12(3)13(18)4/h7-11,21-22H,5-6H2,1-4H3,(H,23,24)