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

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-16-11-17(2)13-20(12-16)28-15-22(25)23-7-9-24(10-8-23)29(26,27)21-6-5-18(3)19(4)14-21/h5-6,11-14H,7-10,15H2,1-4H3