(2S)-2-[(2-cyanophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(2-cyanophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-cyanophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(2-cyanophenyl)sulfonylamino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-cyanophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-cyanophenyl)sulfonylamino]-4-(methylthio)butyrate Formula: C12H13N2O4S2- MolecularWeight: 313.37262

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C#N

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C#N

InChI

InChI=1S/C12H14N2O4S2/c1-19-7-6-10(12(15)16)14-20(17,18)11-5-3-2-4-9(11)8-13/h2-5,10,14H,6-7H2,1H3,(H,15,16)/p-1/t10-/m0/s1