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

Systemtic Name: 3,3-dimethyl-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-(4-besylpiperazino)-3,3-dimethyl-butan-1-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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