(2S)-4-methylsulfonyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoate Traditional Name: (2S)-4-mesyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butyrate Formula: C10H12N3O7S- MolecularWeight: 318.28318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC=C(N1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O7S/c1-21(19,20)5-4-7(10(15)16)12-9(14)6-2-3-8(11-6)13(17)18/h2-3,7,11H,4-5H2,1H3,(H,12,14)(H,15,16)/p-1/t7-/m0/s1