[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)C)C)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)C)C)OC

InChI

InChI=1S/C24H29NO6S/c1-16-8-9-17(2)20(13-16)21(26)15-31-24(27)19-10-11-22(30-4)23(14-19)32(28,29)25-12-6-5-7-18(25)3/h8-11,13-14,18H,5-7,12,15H2,1-4H3