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

Systemtic Name: 3-methyl-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(m-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(m-tolylsulfonyl)piperazino]butan-1-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)C

InChI

InChI=1S/C16H24N2O3S/c1-13(2)11-16(19)17-7-9-18(10-8-17)22(20,21)15-6-4-5-14(3)12-15/h4-6,12-13H,7-11H2,1-3H3