(2S)-4-methylsulfanyl-2-[(3-nitrophenyl)sulfonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)sulfonylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)sulfonylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(3-nitrophenyl)sulfonylamino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)sulfonylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-nitrophenyl)sulfonylamino]butyrate Formula: C11H13N2O6S2- MolecularWeight: 333.36072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S2/c1-20-6-5-10(11(14)15)12-21(18,19)9-4-2-3-8(7-9)13(16)17/h2-4,7,10,12H,5-6H2,1H3,(H,14,15)/p-1/t10-/m0/s1