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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H18N4O3S2/c20-10-12-27-17-8-2-1-7-16(17)19(24)22-14-5-3-6-15(13-14)28(25,26)23-18-9-4-11-21-18/h1-3,5-8,13H,4,9,11-12H2,(H,21,23)(H,22,24)