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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]nicotinamide Formula: C21H22N5O4S2+ MolecularWeight: 472.56048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H21N5O4S2/c1-14-11-16(25-30-14)13-31-21-18(7-3-10-23-21)20(27)24-15-5-2-6-17(12-15)32(28,29)26-19-8-4-9-22-19/h2-3,5-7,10-12H,4,8-9,13H2,1H3,(H,22,26)(H,24,27)/p+1