(1-cyanoindolizin-2-yl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C24H24N2O4S/c1-17-8-9-18(2)22(13-17)31(28,29)24(10-4-5-11-24)23(27)30-16-19-15-26-12-6-3-7-21(26)20(19)14-25/h3,6-9,12-13,15H,4-5,10-11,16H2,1-2H3