cyclohexylmethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: cyclohexylmethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: cyclohexylmethyl 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid cyclohexylmethyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3CCCCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3CCCCC3)C

InChI

InChI=1S/C21H31NO4S/c1-16-12-17(2)14-22(13-16)27(24,25)20-10-8-19(9-11-20)21(23)26-15-18-6-4-3-5-7-18/h8-11,16-18H,3-7,12-15H2,1-2H3/t16-,17-/m1/s1