methyl (1R,2R,4R)-1-benzamido-2-(6-chloranylpyridin-3-yl)-4-methylsulfonyloxy-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R,4R)-1-benzamido-2-(6-chloranylpyridin-3-yl)-4-methylsulfonyloxy-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R,4R)-1-benzamido-2-(6-chloro-3-pyridyl)-4-methylsulfonyloxy-cyclohexanecarboxylate CAS Name: (1R,2R,4R)-1-benzamido-2-(6-chloro-3-pyridinyl)-4-methylsulfonyloxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4R)-1-benzamido-2-(6-chloropyridin-3-yl)-4-methylsulfonyloxycyclohexane-1-carboxylate Traditional Name: (1R,2R,4R)-1-benzamido-2-(6-chloro-3-pyridyl)-4-methylsulfonyloxy-cyclohexanecarboxylic acid methyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(CC1C2=CN=C(C=C2)Cl)OS(=O)(=O)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@]1(CC[C@H](C[C@@H]1C2=CN=C(C=C2)Cl)OS(=O)(=O)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O6S/c1-29-20(26)21(24-19(25)14-6-4-3-5-7-14)11-10-16(30-31(2,27)28)12-17(21)15-8-9-18(22)23-13-15/h3-9,13,16-17H,10-12H2,1-2H3,(H,24,25)/t16-,17-,21-/m1/s1