(2S)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxylate Openeye Name: (2S)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylsulfonyl-2-nitrophenyl)-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-mesyl-2-nitro-phenyl)pyrrolidine-2-carboxylate Formula: C12H13N2O6S- MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@H]2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-21(19,20)8-4-5-9(11(7-8)14(17)18)13-6-2-3-10(13)12(15)16/h4-5,7,10H,2-3,6H2,1H3,(H,15,16)/p-1/t10-/m0/s1