(2S)-4-methylsulfonyl-2-(pyridin-3-ylsulfonylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(pyridin-3-ylsulfonylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(3-pyridylsulfonylamino)butanoate CAS Name: (2S)-4-methylsulfonyl-2-(3-pyridinylsulfonylamino)butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(pyridin-3-ylsulfonylamino)butanoate Traditional Name: (2S)-4-mesyl-2-(3-pyridylsulfonylamino)butyrate Formula: C10H13N2O6S2- MolecularWeight: 321.35002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NS(=O)(=O)C1=CN=CC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NS(=O)(=O)C1=CN=CC=C1

InChI

InChI=1S/C10H14N2O6S2/c1-19(15,16)6-4-9(10(13)14)12-20(17,18)8-3-2-5-11-7-8/h2-3,5,7,9,12H,4,6H2,1H3,(H,13,14)/p-1/t9-/m0/s1