4-[(2S)-3-methylsulfonyl-2-(4-nitrophenyl)-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]butanoate

Systemtic Name: 4-[(2S)-3-methylsulfonyl-2-(4-nitrophenyl)-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]butanoate Openeye Name: 4-[(2S)-3-methylsulfonyl-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate CAS Name: 4-[(2S)-3-methylsulfonyl-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate IUPAC Name: 4-[(2S)-3-methylsulfonyl-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]butanoate Traditional Name: 4-[(5S)-2-keto-4-mesyl-5-(4-nitrophenyl)-3-oxido-3-pyrrolin-1-yl]butyrate Formula: C15H14N2O8S-2 MolecularWeight: 382.34526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CCCC(=O)[O-])[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)[N+](=O)[O-])CCCC(=O)[O-])[O-]

InChI

InChI=1S/C15H16N2O8S/c1-26(24,25)14-12(9-4-6-10(7-5-9)17(22)23)16(15(21)13(14)20)8-2-3-11(18)19/h4-7,12,20H,2-3,8H2,1H3,(H,18,19)/p-2/t12-/m0/s1