N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-ethoxy-pyridine-3-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-ethoxy-pyridine-3-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-ethoxy-pyridine-3-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-ethoxy-3-pyridinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-ethoxypyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]nicotinamide Formula: C18H21N4O4S+ MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C18H20N4O4S/c1-2-26-18-15(8-4-11-20-18)17(23)21-13-6-3-7-14(12-13)27(24,25)22-16-9-5-10-19-16/h3-4,6-8,11-12H,2,5,9-10H2,1H3,(H,19,22)(H,21,23)/p+1