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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide Traditional Name: 4-[(methylthio)methyl]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C19H21N3O3S2/c1-26-13-14-7-9-15(10-8-14)19(23)21-16-4-2-5-17(12-16)27(24,25)22-18-6-3-11-20-18/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,20,22)(H,21,23)/p+1