1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(4-tosylpiperazino)propan-1-one Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-3-14(17)15-8-10-16(11-9-15)20(18,19)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3