cyanomethyl 2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: cyanomethyl 2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: cyanomethyl 2-chloro-5-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 2-chloro-5-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzoic acid cyanomethyl ester Formula: C16H19ClN2O4S MolecularWeight: 370.85106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC#N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC#N)C

InChI

InChI=1S/C16H19ClN2O4S/c1-11-7-12(2)10-19(9-11)24(21,22)13-3-4-15(17)14(8-13)16(20)23-6-5-18/h3-4,8,11-12H,6-7,9-10H2,1-2H3/t11-,12-/m1/s1