N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]-2-(2-quinolylthio)acetamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N4O3S2/c26-20(14-29-21-11-10-15-5-1-2-8-18(15)24-21)23-16-6-3-7-17(13-16)30(27,28)25-19-9-4-12-22-19/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,25)(H,23,26)