ethyl 6-(pyridin-4-ylmethylsulfonyl)cyclohexene-1-carboxylate

Systemtic Name: ethyl 6-(pyridin-4-ylmethylsulfonyl)cyclohexene-1-carboxylate Openeye Name: ethyl 6-(4-pyridylmethylsulfonyl)cyclohexene-1-carboxylate CAS Name: 6-(pyridin-4-ylmethylsulfonyl)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(pyridin-4-ylmethylsulfonyl)cyclohexene-1-carboxylate Traditional Name: 6-(4-pyridylmethylsulfonyl)cyclohexene-1-carboxylic acid ethyl ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1S(=O)(=O)CC2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=CCCCC1S(=O)(=O)CC2=CC=NC=C2

InChI

InChI=1S/C15H19NO4S/c1-2-20-15(17)13-5-3-4-6-14(13)21(18,19)11-12-7-9-16-10-8-12/h5,7-10,14H,2-4,6,11H2,1H3