2-[(2-chlorophenyl)methylsulfanyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C19H21ClN3O3S2+ MolecularWeight: 438.97134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=CC=CC=C3Cl

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClN3O3S2/c20-17-8-2-1-5-14(17)12-27-13-19(24)22-15-6-3-7-16(11-15)28(25,26)23-18-9-4-10-21-18/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,23)(H,22,24)/p+1