2-(2,5-dimethylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(2,5-dimethylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2,5-dimethylphenoxy)-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one Traditional Name: 1-(4-besylpiperazino)-2-(2,5-dimethylphenoxy)butan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=C(C=CC(=C3)C)C

InChI

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