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

Systemtic Name: 2-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 2-methyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-methyl-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 2-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 2-methyl-1-(4-tosylpiperazino)butan-1-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-4-14(3)16(19)17-9-11-18(12-10-17)22(20,21)15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3