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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(methylthio)-3-phenyl-4-imidazolecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide Traditional Name: 2-(methylthio)-3-phenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]imidazole-4-carboxamide Formula: C21H22N5O3S2+ MolecularWeight: 456.56108

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H21N5O3S2/c1-30-21-23-14-18(26(21)16-8-3-2-4-9-16)20(27)24-15-7-5-10-17(13-15)31(28,29)25-19-11-6-12-22-19/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,25)(H,24,27)/p+1