[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-ethylsulfanyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-ethylsulfanyl-5-methylsulfonyl-phenyl)methanone Openeye Name: [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-ethylsulfanyl-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(3,4-dichlorophenyl)-1-piperazinyl]-[2-(ethylthio)-5-methylsulfonylphenyl]methanone IUPAC Name: [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-ethylsulfanyl-5-methylsulfonylphenyl)methanone Traditional Name: [4-(3,4-dichlorophenyl)piperazino]-[2-(ethylthio)-5-mesyl-phenyl]methanone Formula: C20H22Cl2N2O3S2 MolecularWeight: 473.43628

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCSC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O3S2/c1-3-28-19-7-5-15(29(2,26)27)13-16(19)20(25)24-10-8-23(9-11-24)14-4-6-17(21)18(22)12-14/h4-7,12-13H,3,8-11H2,1-2H3