2-[(3-ethanoylphenyl)-methylsulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-ethanoylphenyl)-methylsulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3-acetyl-N-methylsulfonyl-anilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide CAS Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[[2-(1-imidazolyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-acetyl-N-mesyl-anilino)-N-(2-imidazol-1-ylbenzyl)acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N4O4S/c1-16(26)17-7-5-8-19(12-17)25(30(2,28)29)14-21(27)23-13-18-6-3-4-9-20(18)24-11-10-22-15-24/h3-12,15H,13-14H2,1-2H3,(H,23,27)