N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)C

InChI

InChI=1S/C18H21N5O3S2/c1-12-9-13(2)21-18(20-12)27-11-17(24)22-14-5-3-6-15(10-14)28(25,26)23-16-7-4-8-19-16/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,19,23)(H,22,24)