2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C20H22N5O3S2+ MolecularWeight: 444.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C

InChI

InChI=1S/C20H21N5O3S2/c1-13-9-14(2)23-20(17(13)11-21)29-12-19(26)24-15-5-3-6-16(10-15)30(27,28)25-18-7-4-8-22-18/h3,5-6,9-10H,4,7-8,12H2,1-2H3,(H,22,25)(H,24,26)/p+1