N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C22H27N4O4S2+ MolecularWeight: 475.60418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S2/c1-15(2)24-21(27)14-31-19-10-4-3-9-18(19)22(28)25-16-7-5-8-17(13-16)32(29,30)26-20-11-6-12-23-20/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)/p+1