(2-cyanophenyl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: (2-cyanophenyl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid (2-cyanobenzyl) ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23NO4S/c1-16-9-10-17(2)20(13-16)28(25,26)22(11-5-6-12-22)21(24)27-15-19-8-4-3-7-18(19)14-23/h3-4,7-10,13H,5-6,11-12,15H2,1-2H3