1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 2-(2-quinolylthio)-1-(4-tosylpiperazino)ethanone Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

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