2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxy-benzamide

Systemtic Name: 2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxy-benzamide Openeye Name: 2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxy-benzamide CAS Name: 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[3-(1-imidazolyl)propyl]-4,5-dimethoxybenzamide IUPAC Name: 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide Traditional Name: 2-[(2-fluorobenzyl)-mesyl-amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxy-benzamide Formula: C23H27FN4O5S MolecularWeight: 490.547683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCN2C=CN=C2)N(CC3=CC=CC=C3F)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCN2C=CN=C2)N(CC3=CC=CC=C3F)S(=O)(=O)C)OC

InChI

InChI=1S/C23H27FN4O5S/c1-32-21-13-18(23(29)26-9-6-11-27-12-10-25-16-27)20(14-22(21)33-2)28(34(3,30)31)15-17-7-4-5-8-19(17)24/h4-5,7-8,10,12-14,16H,6,9,11,15H2,1-3H3,(H,26,29)