methyl 4-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbonyloxybenzoate

Systemtic Name: methyl 4-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbonyloxybenzoate Openeye Name: methyl 4-[4-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoyl]oxybenzoate CAS Name: 4-[[4-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]oxybenzoate Traditional Name: 4-[4-[(3R,5S)-3,5-dimethylpiperidino]sulfonylbenzoyl]oxybenzoic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H25NO6S/c1-15-12-16(2)14-23(13-15)30(26,27)20-10-6-18(7-11-20)22(25)29-19-8-4-17(5-9-19)21(24)28-3/h4-11,15-16H,12-14H2,1-3H3/t15-,16+