methyl 1-methyl-5-[2-[[6-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylsulfamoyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-5-[2-[[6-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylsulfamoyl]pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-5-[2-[[6-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylsulfamoyl]pyrrole-2-carboxylate CAS Name: 1-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethylsulfamoyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-[2-[[6-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylsulfamoyl]pyrrole-2-carboxylate Traditional Name: 1-methyl-5-[2-[[6-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylsulfamoyl]pyrrole-2-carboxylic acid methyl ester Formula: C15H18F3N4O4S+ MolecularWeight: 407.38803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)NCCNC2=CC=CC(=[NH+]2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)NCCNC2=CC=CC(=[NH+]2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C15H17F3N4O4S/c1-22-10(14(23)26-2)6-7-13(22)27(24,25)20-9-8-19-12-5-3-4-11(21-12)15(16,17)18/h3-7,20H,8-9H2,1-2H3,(H,19,21)/p+1