2-(3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-(4-tosylpiperazino)ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H26N2O4S/c1-16-4-6-20(7-5-16)28(25,26)23-10-8-22(9-11-23)21(24)15-27-19-13-17(2)12-18(3)14-19/h4-7,12-14H,8-11,15H2,1-3H3