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

Systemtic Name: 3-methyl-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-(4-besylpiperazino)-3-methyl-butan-1-one Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-13(2)12-15(18)16-8-10-17(11-9-16)21(19,20)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3