5-[(3-methylsulfonylphenyl)amino]pentanoic acid

Systemtic Name: 5-[(3-methylsulfonylphenyl)amino]pentanoic acid Openeye Name: 5-(3-methylsulfonylanilino)pentanoic acid CAS Name: 5-(3-methylsulfonylanilino)pentanoic acid IUPAC Name: 5-(3-methylsulfonylanilino)pentanoic acid Traditional Name: 5-(3-mesylanilino)valeric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NCCCCC(=O)O

InChI

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