magnesium 3-methoxy-2-methyl-5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1-(phenylmethyl)piperidin-2-olate bromide

Systemtic Name: magnesium 3-methoxy-2-methyl-5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1-(phenylmethyl)piperidin-2-olate bromide Openeye Name: magnesium 1-benzyl-3-methoxy-2-methyl-6-oxo-5-(p-tolylsulfonyl)piperidin-2-olate bromide CAS Name: magnesium 3-methoxy-2-methyl-5-(4-methylphenyl)sulfonyl-6-oxo-1-(phenylmethyl)-2-piperidinolate bromide IUPAC Name: magnesium 1-benzyl-3-methoxy-2-methyl-5-(4-methylphenyl)sulfonyl-6-oxopiperidin-2-olate bromide Traditional Name: magnesium 1-benzyl-6-keto-3-methoxy-2-methyl-5-tosyl-piperidin-2-olate bromide Formula: C21H24BrMgNO5S MolecularWeight: 506.69296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CC(C(N(C2=O)CC3=CC=CC=C3)(C)[O-])OC.[Mg+2].[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CC(C(N(C2=O)CC3=CC=CC=C3)(C)[O-])OC.[Mg+2].[Br-]

InChI

InChI=1S/C21H24NO5S.BrH.Mg/c1-15-9-11-17(12-10-15)28(25,26)18-13-19(27-3)21(2,24)22(20(18)23)14-16-7-5-4-6-8-16;;/h4-12,18-19H,13-14H2,1-3H3;1H;/q-1;;+2/p-1