[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H29NO5S/c1-16-8-9-20(14-23(16)31(28,29)25-10-6-5-7-11-25)24(27)30-15-22(26)21-13-18(3)17(2)12-19(21)4/h8-9,12-14H,5-7,10-11,15H2,1-4H3