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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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