2-methyl-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-methyl-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 1-(4-besylpiperazino)-2-methyl-butan-1-one Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-3-13(2)15(18)16-9-11-17(12-10-16)21(19,20)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3