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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: 2-(2-pyridylthio)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C17H18N4O3S2/c22-16(12-25-17-8-1-2-9-19-17)20-13-5-3-6-14(11-13)26(23,24)21-15-7-4-10-18-15/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,18,21)(H,20,22)