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

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3S/c26-21(12-7-15-14-23-19-5-2-1-4-18(15)19)24-16-8-10-17(11-9-16)29(27,28)25-20-6-3-13-22-20/h1-2,4-5,8-11,14,23H,3,6-7,12-13H2,(H,22,25)(H,24,26)/p+1