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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-indol-1-yl-propanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-indol-1-yl-propanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1-indolyl)propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-indol-1-ylpropanamide Traditional Name: 3-indol-1-yl-N-[3-(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=CC(=C2)NC(=O)CCN3C=CC4=CC=CC=C43

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C=CC4=CC=CC=C43

InChI

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