(2,5-dimethylphenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (2,5-dimethylbenzyl) ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C23H29NO4S/c1-16-5-6-19(4)21(12-16)15-28-23(25)20-7-9-22(10-8-20)29(26,27)24-13-17(2)11-18(3)14-24/h5-10,12,17-18H,11,13-15H2,1-4H3/t17-,18-/m1/s1