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

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2-chloro-5-methyl-phenyl) 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (2-chloro-5-methyl-phenyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-14-4-9-19(22)20(11-14)27-21(24)17-5-7-18(8-6-17)28(25,26)23-12-15(2)10-16(3)13-23/h4-9,11,15-16H,10,12-13H2,1-3H3/t15-,16-/m1/s1