[5-[5-(4-chlorophenyl)-2-methyl-phenyl]-2,2-dimethyl-6-oxidanylidene-1,3-dihydropyridin-4-yl] methanesulfonate

Systemtic Name: [5-[5-(4-chlorophenyl)-2-methyl-phenyl]-2,2-dimethyl-6-oxidanylidene-1,3-dihydropyridin-4-yl] methanesulfonate Openeye Name: [5-[5-(4-chlorophenyl)-2-methyl-phenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridin-4-yl] methanesulfonate CAS Name: methanesulfonic acid [5-[5-(4-chlorophenyl)-2-methylphenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridin-4-yl] ester IUPAC Name: [5-[5-(4-chlorophenyl)-2-methylphenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridin-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-[5-(4-chlorophenyl)-2-methyl-phenyl]-6-keto-2,2-dimethyl-1,3-dihydropyridin-4-yl] ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(C=C2)Cl)C3=C(CC(NC3=O)(C)C)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(C=C2)Cl)C3=C(CC(NC3=O)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C21H22ClNO4S/c1-13-5-6-15(14-7-9-16(22)10-8-14)11-17(13)19-18(27-28(4,25)26)12-21(2,3)23-20(19)24/h5-11H,12H2,1-4H3,(H,23,24)