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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5S/c1-16-5-6-19(4)22(12-16)23(26)15-30-24(27)20-7-9-21(10-8-20)31(28,29)25-13-17(2)11-18(3)14-25/h5-10,12,17-18H,11,13-15H2,1-4H3