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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1S(=O)(=O)C2=CN(C=N2)C)CC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CCC1CN(CCN1S(=O)(=O)C2=CN(C=N2)C)CC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

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