2-[2-(3-chloranylphenoxy)ethylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[2-(3-chloranylphenoxy)ethylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[2-(3-chlorophenoxy)ethylsulfanyl]propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[2-(3-chlorophenoxy)ethylthio]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[2-(3-chlorophenoxy)ethylsulfanyl]propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-[2-(3-chlorophenoxy)ethylthio]propan-1-one Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SCCOC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SCCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-17(29-15-14-28-19-7-5-6-18(22)16-19)21(25)23-10-12-24(13-11-23)30(26,27)20-8-3-2-4-9-20/h2-9,16-17H,10-15H2,1H3