(2S)-2-[(3-cyanophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[(3-cyanophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(3-cyanobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3-cyanophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(3-cyanobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(3-cyanobenzoyl)amino]-4-mesyl-butyrate Formula: C13H13N2O5S- MolecularWeight: 309.31772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H14N2O5S/c1-21(19,20)6-5-11(13(17)18)15-12(16)10-4-2-3-9(7-10)8-14/h2-4,7,11H,5-6H2,1H3,(H,15,16)(H,17,18)/p-1/t11-/m0/s1