methyl (2S)-3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate

Systemtic Name: methyl (2S)-3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate Openeye Name: methyl (2S)-3-methyl-2-[2-(4-pyridyl)ethylsulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate Traditional Name: (2S)-3-methyl-2-[2-(4-pyridyl)ethylsulfonylamino]butyric acid methyl ester Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)CCC1=CC=NC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NS(=O)(=O)CCC1=CC=NC=C1

InChI

InChI=1S/C13H20N2O4S/c1-10(2)12(13(16)19-3)15-20(17,18)9-6-11-4-7-14-8-5-11/h4-5,7-8,10,12,15H,6,9H2,1-3H3/t12-/m0/s1