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

Systemtic Name: 2-[(4-acetamidophenyl)amino]-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-(4-acetamidoanilino)-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid CAS Name: 2-(4-acetamidoanilino)-3-[[(E)-but-2-enyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 2-(4-acetamidoanilino)-3-[[(E)-but-2-enyl]amino]-5-sulfamoylbenzoic acid Traditional Name: 2-(4-acetamidoanilino)-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCNC1=C(C(=CC(=C1)S(=O)(=O)N)C(=O)O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C/C=C/CNC1=C(C(=CC(=C1)S(=O)(=O)N)C(=O)O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H22N4O5S/c1-3-4-9-21-17-11-15(29(20,27)28)10-16(19(25)26)18(17)23-14-7-5-13(6-8-14)22-12(2)24/h3-8,10-11,21,23H,9H2,1-2H3,(H,22,24)(H,25,26)(H2,20,27,28)/b4-3+