1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-quinolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-quinolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-(4-quinolylsulfanyl)ethanone CAS Name: 1-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-(4-quinolinylthio)ethanone IUPAC Name: 1-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-quinolin-4-ylsulfanylethanone Traditional Name: 1-[4-(4-mesylpiperazino)phenyl]-2-(4-quinolylthio)ethanone Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3S2/c1-30(27,28)25-14-12-24(13-15-25)18-8-6-17(7-9-18)21(26)16-29-22-10-11-23-20-5-3-2-4-19(20)22/h2-11H,12-16H2,1H3