3-[phenyl(propylsulfonyl)amino]propanoic acid

Systemtic Name: 3-[phenyl(propylsulfonyl)amino]propanoic acid Openeye Name: 3-(N-propylsulfonylanilino)propanoic acid CAS Name: 3-(N-propylsulfonylanilino)propanoic acid IUPAC Name: 3-(N-propylsulfonylanilino)propanoic acid Traditional Name: 3-(N-propylsulfonylanilino)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CCC(=O)O)C1=CC=CC=C1

Isomeric SMILES

CCCS(=O)(=O)N(CCC(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO4S/c1-2-10-18(16,17)13(9-8-12(14)15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)