6-[methyl-(phenylmethyl)sulfonyl-amino]hexanoic acid

Systemtic Name: 6-[methyl-(phenylmethyl)sulfonyl-amino]hexanoic acid Openeye Name: 6-[benzylsulfonyl(methyl)amino]hexanoic acid CAS Name: 6-[methyl-(phenylmethyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[benzylsulfonyl(methyl)amino]hexanoic acid Traditional Name: 6-[benzylsulfonyl(methyl)amino]hexanoic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC(=O)O)S(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CN(CCCCCC(=O)O)S(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C14H21NO4S/c1-15(11-7-3-6-10-14(16)17)20(18,19)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,16,17)