(6-chloranylpyridin-3-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid (6-chloro-3-pyridyl)methyl ester Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN=C(C=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN=C(C=C3)Cl)C)C

InChI

InChI=1S/C22H27ClN2O4S/c1-14-11-15(2)17(4)21(16(14)3)30(27,28)25-9-7-19(8-10-25)22(26)29-13-18-5-6-20(23)24-12-18/h5-6,11-12,19H,7-10,13H2,1-4H3