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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C20H21N4O3S3+ MolecularWeight: 461.60074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S3/c25-19(10-12-28-20-23-16-7-1-2-8-17(16)29-20)22-14-5-3-6-15(13-14)30(26,27)24-18-9-4-11-21-18/h1-3,5-8,13H,4,9-12H2,(H,21,24)(H,22,25)/p+1