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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCCCN1C(=O)COC(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

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