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

Systemtic Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)16-11-9-15(10-12-16)20(25)23-17-6-4-7-18(14-17)28(26,27)24-19-8-5-13-22-19/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,22,24)(H,23,25)/p+1