N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-2-(8-quinolylthio)acetamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c1-31(28,29)26-14-12-25(13-15-26)19-9-7-18(8-10-19)24-21(27)16-30-20-6-2-4-17-5-3-11-23-22(17)20/h2-11H,12-16H2,1H3,(H,24,27)