4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzoate

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzoate Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzoate CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylsulfamoyl]benzoate IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzoate Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzoate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-2-16-9-3-4-12(16)10-15-21(19,20)13-7-5-11(6-8-13)14(17)18/h5-8,12,15H,2-4,9-10H2,1H3,(H,17,18)/t12-/m0/s1