N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C23H25N5O3S/c1-16-21(17(2)28(26-16)19-9-4-3-5-10-19)15-23(29)25-18-8-6-11-20(14-18)32(30,31)27-22-12-7-13-24-22/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,24,27)(H,25,29)/p+1