3-methyl-1-[4-(phenylsulfonyl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-(phenylsulfonyl)piperazin-1-yl]but-2-en-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-(4-besylpiperazino)-3-methyl-but-2-en-1-one Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-13(2)12-15(18)16-8-10-17(11-9-16)21(19,20)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3