4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylsulfamoyl]-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]-1-methyl-pyrrole-2-carboxylate Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNS(=O)(=O)C2=CN(C(=C2)C(=O)[O-])C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNS(=O)(=O)C2=CN(C(=C2)C(=O)[O-])C

InChI

InChI=1S/C13H21N3O4S/c1-3-16-6-4-5-10(16)8-14-21(19,20)11-7-12(13(17)18)15(2)9-11/h7,9-10,14H,3-6,8H2,1-2H3,(H,17,18)/t10-/m0/s1