N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

InChI

InChI=1S/C22H22N4O3S2/c1-15-12-22(25-19-9-3-2-8-18(15)19)30-14-21(27)24-16-6-4-7-17(13-16)31(28,29)26-20-10-5-11-23-20/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,23,26)(H,24,27)