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

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-indan-5-ylsulfanyl-acetamide CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(indan-5-ylthio)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C21H24N3O3S2+ MolecularWeight: 430.56356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H23N3O3S2/c25-21(14-28-18-10-9-15-4-1-5-16(15)12-18)23-17-6-2-7-19(13-17)29(26,27)24-20-8-3-11-22-20/h2,6-7,9-10,12-13H,1,3-5,8,11,14H2,(H,22,24)(H,23,25)/p+1