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

Systemtic Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,6-dimethyl-benzenesulfonamide Openeye Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,6-dimethyl-benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,6-dimethylbenzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,6-dimethylbenzenesulfonamide Traditional Name: 4-tert-butyl-2,6-dimethyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C)C(C)(C)C

InChI

InChI=1S/C22H29N3O4S2/c1-15-12-17(22(3,4)5)13-16(2)21(15)31(28,29)24-18-8-6-9-19(14-18)30(26,27)25-20-10-7-11-23-20/h6,8-9,12-14,24H,7,10-11H2,1-5H3,(H,23,25)/p+1