N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methylsulfanyl-propanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methylsulfanyl-propanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methylsulfanyl-propanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methylthio)propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methylsulfanylpropanamide Traditional Name: 2-(methylthio)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]propionamide Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2)SC

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2)SC

InChI

InChI=1S/C14H19N3O3S2/c1-10(21-2)14(18)16-11-5-3-6-12(9-11)22(19,20)17-13-7-4-8-15-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,17)(H,16,18)