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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]pentan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one Traditional Name: 1-(4-tosylpiperazino)pentan-1-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-3-4-5-16(19)17-10-12-18(13-11-17)22(20,21)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3