2-[methyl-(phenylmethyl)amino]-3-methylsulfonyloxy-hexanoic acid

Systemtic Name: 2-[methyl-(phenylmethyl)amino]-3-methylsulfonyloxy-hexanoic acid Openeye Name: 2-[benzyl(methyl)amino]-3-methylsulfonyloxy-hexanoic acid CAS Name: 2-[methyl-(phenylmethyl)amino]-3-methylsulfonyloxyhexanoic acid IUPAC Name: 2-[benzyl(methyl)amino]-3-methylsulfonyloxyhexanoic acid Traditional Name: 2-[benzyl(methyl)amino]-3-methylsulfonyloxy-hexanoic acid Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)O)N(C)CC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CCCC(C(C(=O)O)N(C)CC1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C15H23NO5S/c1-4-8-13(21-22(3,19)20)14(15(17)18)16(2)11-12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8,11H2,1-3H3,(H,17,18)