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

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-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)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

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