4-(4-acetamidophenoxy)-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-acetamidophenoxy)-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-acetamidophenoxy)-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid CAS Name: 4-(4-acetamidophenoxy)-3-[[(E)-but-2-enyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-acetamidophenoxy)-3-[[(E)-but-2-enyl]amino]-5-sulfamoylbenzoic acid Traditional Name: 4-(4-acetamidophenoxy)-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C/C=C/CNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H21N3O6S/c1-3-4-9-21-16-10-13(19(24)25)11-17(29(20,26)27)18(16)28-15-7-5-14(6-8-15)22-12(2)23/h3-8,10-11,21H,9H2,1-2H3,(H,22,23)(H,24,25)(H2,20,26,27)/b4-3+