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

Systemtic Name: 2-ethyl-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethyl-butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-ethyl-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 1-(4-besylpiperazino)-2-ethyl-butan-1-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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