N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethanoyl-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethanoyl-benzenesulfonamide Openeye Name: 3-acetyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 3-acetyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C18H20N3O5S2+ MolecularWeight: 422.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C18H19N3O5S2/c1-13(22)14-5-2-7-16(11-14)27(23,24)20-15-6-3-8-17(12-15)28(25,26)21-18-9-4-10-19-18/h2-3,5-8,11-12,20H,4,9-10H2,1H3,(H,19,21)/p+1