pyridin-2-yl 5-ethyl-4-methyl-2-(3-methylcyclohexyl)carbonyl-benzenesulfonate

Systemtic Name: pyridin-2-yl 5-ethyl-4-methyl-2-(3-methylcyclohexyl)carbonyl-benzenesulfonate Openeye Name: 2-pyridyl 5-ethyl-4-methyl-2-(3-methylcyclohexanecarbonyl)benzenesulfonate CAS Name: 5-ethyl-4-methyl-2-[(3-methylcyclohexyl)-oxomethyl]benzenesulfonic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 5-ethyl-4-methyl-2-(3-methylcyclohexanecarbonyl)benzenesulfonate Traditional Name: 5-ethyl-4-methyl-2-(3-methylcyclohexanecarbonyl)benzenesulfonic acid 2-pyridyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)S(=O)(=O)OC2=CC=CC=N2)C(=O)C3CCCC(C3)C)C

Isomeric SMILES

CCC1=C(C=C(C(=C1)S(=O)(=O)OC2=CC=CC=N2)C(=O)C3CCCC(C3)C)C

InChI

InChI=1S/C22H27NO4S/c1-4-17-14-20(28(25,26)27-21-10-5-6-11-23-21)19(13-16(17)3)22(24)18-9-7-8-15(2)12-18/h5-6,10-11,13-15,18H,4,7-9,12H2,1-3H3