N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: 2,3,5,6-tetramethyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C20H26N3O4S2+ MolecularWeight: 436.56814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-13-11-14(2)16(4)20(15(13)3)29(26,27)22-17-7-5-8-18(12-17)28(24,25)23-19-9-6-10-21-19/h5,7-8,11-12,22H,6,9-10H2,1-4H3,(H,21,23)/p+1