N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(1H-indol-3-yl)butanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(1H-indol-3-yl)butanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(1H-indol-3-yl)butanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(1H-indol-3-yl)butanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(1H-indol-3-yl)butanamide Traditional Name: 4-(1H-indol-3-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]butyramide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S/c27-22(12-3-6-16-15-24-20-10-2-1-9-19(16)20)25-17-7-4-8-18(14-17)30(28,29)26-21-11-5-13-23-21/h1-2,4,7-10,14-15,24H,3,5-6,11-13H2,(H,23,26)(H,25,27)/p+1