3-[(4-propylsulfonylphenyl)amino]propanoic acid

Systemtic Name: 3-[(4-propylsulfonylphenyl)amino]propanoic acid Openeye Name: 3-(4-propylsulfonylanilino)propanoic acid CAS Name: 3-(4-propylsulfonylanilino)propanoic acid IUPAC Name: 3-(4-propylsulfonylanilino)propanoic acid Traditional Name: 3-(4-propylsulfonylanilino)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)NCCC(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)NCCC(=O)O

InChI

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