N-[(4-tert-butylphenyl)methyl]-2-[3-iodanyl-4-(methylsulfonylamino)phenyl]propanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-[3-iodanyl-4-(methylsulfonylamino)phenyl]propanamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-[3-iodo-4-(methanesulfonamido)phenyl]propanamide CAS Name: N-[(4-tert-butylphenyl)methyl]-2-[3-iodo-4-(methanesulfonamido)phenyl]propanamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-[3-iodo-4-(methanesulfonamido)phenyl]propanamide Traditional Name: N-(4-tert-butylbenzyl)-2-[3-iodo-4-(methanesulfonamido)phenyl]propionamide Formula: C21H27IN2O3S MolecularWeight: 514.42015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)NS(=O)(=O)C)I)C(=O)NCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C1=CC(=C(C=C1)NS(=O)(=O)C)I)C(=O)NCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27IN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)