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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-(furan-2-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-[2-furanyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(2-furoyl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]isonipecotamide Formula: C21H25N4O5S+ MolecularWeight: 445.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H24N4O5S/c26-20(15-8-11-25(12-9-15)21(27)18-6-3-13-30-18)23-16-4-1-5-17(14-16)31(28,29)24-19-7-2-10-22-19/h1,3-6,13-15H,2,7-12H2,(H,22,24)(H,23,26)/p+1