(6-chloranylpyridin-3-yl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO4S/c1-14-5-6-15(2)17(11-14)27(24,25)20(9-3-4-10-20)19(23)26-13-16-7-8-18(21)22-12-16/h5-8,11-12H,3-4,9-10,13H2,1-2H3