[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C25H31NO5S MolecularWeight: 457.58234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3C)C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3C)C)C)C

InChI

InChI=1S/C25H31NO5S/c1-16-10-17(2)14-26(13-16)32(29,30)22-8-6-21(7-9-22)25(28)31-15-24(27)23-12-19(4)18(3)11-20(23)5/h6-9,11-12,16-17H,10,13-15H2,1-5H3