N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[methyl(p-tolylsulfonyl)amino]acetamide CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[2-(imidazol-1-ylmethyl)benzyl]-2-[methyl(tosyl)amino]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=CC=C2CN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=CC=C2CN3C=CN=C3

InChI

InChI=1S/C21H24N4O3S/c1-17-7-9-20(10-8-17)29(27,28)24(2)15-21(26)23-13-18-5-3-4-6-19(18)14-25-12-11-22-16-25/h3-12,16H,13-15H2,1-2H3,(H,23,26)