2-[(4-iodophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-iodophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(4-iodo-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(4-iodo-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-iodo-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(4-iodo-N-mesyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C20H24IN3O3S MolecularWeight: 513.39233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC=C(C=C3)I

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H24IN3O3S/c1-28(26,27)24(19-10-6-17(21)7-11-19)15-20(25)22-14-16-4-8-18(9-5-16)23-12-2-3-13-23/h4-11H,2-3,12-15H2,1H3,(H,22,25)