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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: 2-(2-pyrimidylthio)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S2/c22-15(11-25-16-18-8-3-9-19-16)20-12-4-1-5-13(10-12)26(23,24)21-14-6-2-7-17-14/h1,3-5,8-10H,2,6-7,11H2,(H,17,21)(H,20,22)