(2-cyclohexyl-4-methyl-6-oxidanylidene-pyridin-1-yl) 4-chloranylbenzenesulfonate

Systemtic Name: (2-cyclohexyl-4-methyl-6-oxidanylidene-pyridin-1-yl) 4-chloranylbenzenesulfonate Openeye Name: (2-cyclohexyl-4-methyl-6-oxo-1-pyridyl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) ester IUPAC Name: (2-cyclohexyl-4-methyl-6-oxopyridin-1-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (2-cyclohexyl-6-keto-4-methyl-1-pyridyl) ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=O)N(C(=C1)C2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClNO4S/c1-13-11-17(14-5-3-2-4-6-14)20(18(21)12-13)24-25(22,23)16-9-7-15(19)8-10-16/h7-12,14H,2-6H2,1H3