[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H27NO6S/c1-16-10-11-18(3)21(13-16)31(27,28)30-20-9-5-4-8-19(20)23(26)29-15-22(25)24-12-6-7-17(2)14-24/h4-5,8-11,13,17H,6-7,12,14-15H2,1-3H3