N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-2-oxo-benzimidazol-1-yl)propanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-2-oxo-1-benzimidazolyl)propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C21H24N5O4S+ MolecularWeight: 442.51136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H23N5O4S/c1-25-17-8-2-3-9-18(17)26(21(25)28)13-11-20(27)23-15-6-4-7-16(14-15)31(29,30)24-19-10-5-12-22-19/h2-4,6-9,14H,5,10-13H2,1H3,(H,22,24)(H,23,27)/p+1