5-[(2-methylsulfonylphenyl)amino]pentanoate

Systemtic Name: 5-[(2-methylsulfonylphenyl)amino]pentanoate Openeye Name: 5-(2-methylsulfonylanilino)pentanoate CAS Name: 5-(2-methylsulfonylanilino)pentanoate IUPAC Name: 5-(2-methylsulfonylanilino)pentanoate Traditional Name: 5-(2-mesylanilino)valerate Formula: C12H16NO4S- MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NCCCCC(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NCCCCC(=O)[O-]

InChI

InChI=1S/C12H17NO4S/c1-18(16,17)11-7-3-2-6-10(11)13-9-5-4-8-12(14)15/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,14,15)/p-1