[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C23H27NO5S/c1-16-13-17(2)22(18(3)14-16)20(25)15-29-23(26)19-9-5-6-10-21(19)30(27,28)24-11-7-4-8-12-24/h5-6,9-10,13-14H,4,7-8,11-12,15H2,1-3H3