2-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 2-(3-methylphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 2-(3-methylphenoxy)-1-(4-tosylpiperazino)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=C(C=C2)C)OC3=CC=CC(=C3)C

Isomeric SMILES

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

InChI

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