N-(2-iodanyl-4-sulfamoyl-phenyl)-2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanamide perchlorate

Systemtic Name: N-(2-iodanyl-4-sulfamoyl-phenyl)-2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanamide perchlorate Openeye Name: 2-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)-N-(2-iodo-4-sulfamoyl-phenyl)acetamide perchlorate CAS Name: N-(2-iodo-4-sulfamoylphenyl)-2-[4-phenyl-2,6-di(propan-2-yl)-1-pyridin-1-iumyl]acetamide perchlorate IUPAC Name: N-(2-iodo-4-sulfamoylphenyl)-2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]acetamide perchlorate Traditional Name: 2-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)-N-(2-iodo-4-sulfamoyl-phenyl)acetamide perchlorate Formula: C25H29ClIN3O7S MolecularWeight: 677.93613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=[N+]1CC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)I)C(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)C1=CC(=CC(=[N+]1CC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)I)C(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H28IN3O3S.ClHO4/c1-16(2)23-12-19(18-8-6-5-7-9-18)13-24(17(3)4)29(23)15-25(30)28-22-11-10-20(14-21(22)26)33(27,31)32;2-1(3,4)5/h5-14,16-17H,15H2,1-4H3,(H2-,27,28,30,31,32);(H,2,3,4,5)