[2-(2-bromanyl-4,6-dimethyl-phenyl)-8-methyl-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] methanesulfonate

Systemtic Name: [2-(2-bromanyl-4,6-dimethyl-phenyl)-8-methyl-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] methanesulfonate Openeye Name: [2-(2-bromo-4,6-dimethyl-phenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(2-bromo-4,6-dimethylphenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] ester IUPAC Name: [2-(2-bromo-4,6-dimethylphenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(2-bromo-4,6-dimethyl-phenyl)-3-keto-8-methyl-4-azaspiro[4.5]dec-1-en-1-yl] ester Formula: C19H24BrNO4S MolecularWeight: 442.36716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)C(=C(C(=O)N2)C3=C(C=C(C=C3Br)C)C)OS(=O)(=O)C

Isomeric SMILES

CC1CCC2(CC1)C(=C(C(=O)N2)C3=C(C=C(C=C3Br)C)C)OS(=O)(=O)C

InChI

InChI=1S/C19H24BrNO4S/c1-11-5-7-19(8-6-11)17(25-26(4,23)24)16(18(22)21-19)15-13(3)9-12(2)10-14(15)20/h9-11H,5-8H2,1-4H3,(H,21,22)