3-[(4-ethylsulfonylphenyl)amino]butanoic acid

Systemtic Name: 3-[(4-ethylsulfonylphenyl)amino]butanoic acid Openeye Name: 3-(4-ethylsulfonylanilino)butanoic acid CAS Name: 3-(4-ethylsulfonylanilino)butanoic acid IUPAC Name: 3-(4-ethylsulfonylanilino)butanoic acid Traditional Name: 3-(4-esylanilino)butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(C)CC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(C)CC(=O)O

InChI

InChI=1S/C12H17NO4S/c1-3-18(16,17)11-6-4-10(5-7-11)13-9(2)8-12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)