2-ethyl-6-[methyl(phenylsulfonyl)amino]hexanoic acid

Systemtic Name: 2-ethyl-6-[methyl(phenylsulfonyl)amino]hexanoic acid Openeye Name: 6-[benzenesulfonyl(methyl)amino]-2-ethyl-hexanoic acid CAS Name: 6-[benzenesulfonyl(methyl)amino]-2-ethylhexanoic acid IUPAC Name: 6-[benzenesulfonyl(methyl)amino]-2-ethylhexanoic acid Traditional Name: 6-[besyl(methyl)amino]-2-ethyl-hexanoic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCN(C)S(=O)(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCC(CCCCN(C)S(=O)(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H23NO4S/c1-3-13(15(17)18)9-7-8-12-16(2)21(19,20)14-10-5-4-6-11-14/h4-6,10-11,13H,3,7-9,12H2,1-2H3,(H,17,18)