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

Systemtic Name: N-[4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]-2-furamide Formula: C22H21N4O5S+ MolecularWeight: 453.49094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H20N4O5S/c27-21(15-8-10-16(11-9-15)24-22(28)19-6-3-13-31-19)25-17-4-1-5-18(14-17)32(29,30)26-20-7-2-12-23-20/h1,3-6,8-11,13-14H,2,7,12H2,(H,23,26)(H,24,28)(H,25,27)/p+1