[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C)C

InChI

InChI=1S/C23H27NO5S/c1-16-12-18(3)21(13-17(16)2)22(25)15-29-23(26)19-8-7-9-20(14-19)30(27,28)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11,15H2,1-3H3