2-[3,5-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-piperazin-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[3,5-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-piperazin-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[3,5-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-piperazin-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[3,5-dimethyl-4-[(1-methyl-4-imidazolyl)sulfonyl]-1-piperazinyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[3,5-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide Traditional Name: 2-[3,5-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-piperazino]-N-(5-quinolyl)acetamide Formula: C21H26N6O3S MolecularWeight: 442.53454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CN(C=N2)C)C)CC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CN(C=N2)C)C)CC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H26N6O3S/c1-15-10-26(11-16(2)27(15)31(29,30)21-13-25(3)14-23-21)12-20(28)24-19-8-4-7-18-17(19)6-5-9-22-18/h4-9,13-16H,10-12H2,1-3H3,(H,24,28)