sodium 6-[methyl(phenylsulfonyl)amino]hexanoate

Systemtic Name: sodium 6-[methyl(phenylsulfonyl)amino]hexanoate Openeye Name: sodium 6-[benzenesulfonyl(methyl)amino]hexanoate CAS Name: sodium 6-[benzenesulfonyl(methyl)amino]hexanoate IUPAC Name: sodium 6-[benzenesulfonyl(methyl)amino]hexanoate Traditional Name: sodium 6-[besyl(methyl)amino]hexanoate Formula: C13H18NNaO4S MolecularWeight: 307.34109

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1.[Na+]

Isomeric SMILES

CN(CCCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1.[Na+]

InChI

InChI=1S/C13H19NO4S.Na/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);/q;+1/p-1