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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylsulfanyl-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(methylthio)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylsulfanylbenzamide Traditional Name: 2-(methylthio)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C18H19N3O3S2/c1-25-16-9-3-2-8-15(16)18(22)20-13-6-4-7-14(12-13)26(23,24)21-17-10-5-11-19-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)(H,20,22)/p+1