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

Systemtic Name: 3-(4-tert-butylphenyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(4-tert-butylphenyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(4-tert-butylphenyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(4-tert-butylphenyl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-23(2,3)18-12-9-17(10-13-18)11-14-22(27)25-19-6-4-7-20(16-19)30(28,29)26-21-8-5-15-24-21/h4,6-7,9-10,12-13,16H,5,8,11,14-15H2,1-3H3,(H,24,26)(H,25,27)/p+1