(2-chloranyl-5-methylsulfanyl-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl)C

InChI

InChI=1S/C20H23ClN2O3S2/c1-14-4-7-19(15(2)12-14)28(25,26)23-10-8-22(9-11-23)20(24)17-13-16(27-3)5-6-18(17)21/h4-7,12-13H,8-11H2,1-3H3