1-[4-(phenylsulfonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-(2-quinolylthio)ethanone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c25-21(16-28-20-11-10-17-6-4-5-9-19(17)22-20)23-12-14-24(15-13-23)29(26,27)18-7-2-1-3-8-18/h1-11H,12-16H2