N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-6-methylpyridine-3-carboxamide Traditional Name: 6-methyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]nicotinamide Formula: C17H19N4O3S+ MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C17H18N4O3S/c1-12-7-8-13(11-19-12)17(22)20-14-4-2-5-15(10-14)25(23,24)21-16-6-3-9-18-16/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,18,21)(H,20,22)/p+1