2-(3,5-dimethylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3,5-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(3,5-dimethylphenoxy)ethanone Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-16-12-17(2)14-18(13-16)26-15-20(23)21-8-10-22(11-9-21)27(24,25)19-6-4-3-5-7-19/h3-7,12-14H,8-11,15H2,1-2H3