3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]sulfamoyl]benzoate

Systemtic Name: 3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]sulfamoyl]benzoate Openeye Name: 3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]sulfamoyl]benzoate CAS Name: 3-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]sulfamoyl]benzoate IUPAC Name: 3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]sulfamoyl]benzoate Traditional Name: 3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]sulfamoyl]benzoate Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C20H24N2O5S/c1-27-17-9-7-15(8-10-17)19(22-11-2-3-12-22)14-21-28(25,26)18-6-4-5-16(13-18)20(23)24/h4-10,13,19,21H,2-3,11-12,14H2,1H3,(H,23,24)/t19-/m0/s1