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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C19H19N4O3S3+ MolecularWeight: 447.57416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4O3S3/c24-18(12-27-19-22-15-7-1-2-8-16(15)28-19)21-13-5-3-6-14(11-13)29(25,26)23-17-9-4-10-20-17/h1-3,5-8,11H,4,9-10,12H2,(H,20,23)(H,21,24)/p+1