3-methyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]but-2-en-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-methyl-but-2-en-1-one CAS Name: 3-methyl-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-buten-1-one IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-methylbut-2-en-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-methyl-but-2-en-1-one Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H22N2O3S/c1-14(2)12-16(19)17-8-10-18(11-9-17)22(20,21)13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3