N-(3-methyl-4-pyridin-2-ylsulfonyl-piperazin-1-yl)-N-quinolin-5-yl-ethanamide

Systemtic Name: N-(3-methyl-4-pyridin-2-ylsulfonyl-piperazin-1-yl)-N-quinolin-5-yl-ethanamide Openeye Name: N-[3-methyl-4-(2-pyridylsulfonyl)piperazin-1-yl]-N-(5-quinolyl)acetamide CAS Name: N-[3-methyl-4-(2-pyridinylsulfonyl)-1-piperazinyl]-N-(5-quinolinyl)acetamide IUPAC Name: N-(3-methyl-4-pyridin-2-ylsulfonylpiperazin-1-yl)-N-quinolin-5-ylacetamide Traditional Name: N-[3-methyl-4-(2-pyridylsulfonyl)piperazino]-N-(5-quinolyl)acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=N2)N(C3=CC=CC4=C3C=CC=N4)C(=O)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=N2)N(C3=CC=CC4=C3C=CC=N4)C(=O)C

InChI

InChI=1S/C21H23N5O3S/c1-16-15-24(13-14-25(16)30(28,29)21-10-3-4-11-23-21)26(17(2)27)20-9-5-8-19-18(20)7-6-12-22-19/h3-12,16H,13-15H2,1-2H3