2-[(3,5-dimethylphenyl)methylsulfanyl]-2-ethyl-4-(4-methylphenyl)sulfonyl-1-phenyl-piperazine

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-2-ethyl-4-(4-methylphenyl)sulfonyl-1-phenyl-piperazine Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-2-ethyl-1-phenyl-4-(p-tolylsulfonyl)piperazine CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-2-ethyl-4-(4-methylphenyl)sulfonyl-1-phenylpiperazine IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-2-ethyl-4-(4-methylphenyl)sulfonyl-1-phenylpiperazine Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-2-ethyl-1-phenyl-4-tosyl-piperazine Formula: C28H34N2O2S2 MolecularWeight: 494.71176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)SCC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCC1(CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)SCC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H34N2O2S2/c1-5-28(33-20-25-18-23(3)17-24(4)19-25)21-29(15-16-30(28)26-9-7-6-8-10-26)34(31,32)27-13-11-22(2)12-14-27/h6-14,17-19H,5,15-16,20-21H2,1-4H3