(2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoate Openeye Name: (2S)-2-(benzylsulfonylamino)-4-methylsulfonyl-butanoate CAS Name: (2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoate IUPAC Name: (2S)-2-(benzylsulfonylamino)-4-methylsulfonylbutanoate Traditional Name: (2S)-2-(benzylsulfonylamino)-4-mesyl-butyrate Formula: C12H16NO6S2- MolecularWeight: 334.38854

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H17NO6S2/c1-20(16,17)8-7-11(12(14)15)13-21(18,19)9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,14,15)/p-1/t11-/m0/s1