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

Systemtic Name: 2-(4-methoxyphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 2-(4-methoxyphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-(4-methoxyphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 2-(4-methoxyphenoxy)-1-(4-tosylpiperazino)butan-1-one Formula: C22H28N2O5S MolecularWeight: 432.53312

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-4-21(29-19-9-7-18(28-3)8-10-19)22(25)23-13-15-24(16-14-23)30(26,27)20-11-5-17(2)6-12-20/h5-12,21H,4,13-16H2,1-3H3