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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C18H18FN3O3S2 MolecularWeight: 407.482223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O3S2/c19-13-6-8-15(9-7-13)26-12-18(23)21-14-3-1-4-16(11-14)27(24,25)22-17-5-2-10-20-17/h1,3-4,6-9,11H,2,5,10,12H2,(H,20,22)(H,21,23)