(2S)-1-(2-azaniumylethyl)-3-methylsulfonyl-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(2-azaniumylethyl)-3-methylsulfonyl-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(2-azaniumylethyl)-3-methylsulfonyl-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: (2S)-1-(2-ammonioethyl)-3-methylsulfonyl-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(2-azaniumylethyl)-3-methylsulfonyl-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5S)-1-(2-ammonioethyl)-2-keto-4-mesyl-5-phenyl-3-pyrrolin-3-olate Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CC[NH3+])[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C(=O)N([C@H]1C2=CC=CC=C2)CC[NH3+])[O-]

InChI

InChI=1S/C13H16N2O4S/c1-20(18,19)12-10(9-5-3-2-4-6-9)15(8-7-14)13(17)11(12)16/h2-6,10,16H,7-8,14H2,1H3/t10-/m0/s1