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

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-2-(2-quinolylthio)ethanone Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3S2/c22-17-6-8-18(9-7-17)30(27,28)25-13-11-24(12-14-25)21(26)15-29-20-10-5-16-3-1-2-4-19(16)23-20/h1-10H,11-15H2