pyridin-2-yl 4-[2-(3-methylcyclohexyl)-2-oxidanylidene-ethyl]benzenesulfonate

Systemtic Name: pyridin-2-yl 4-[2-(3-methylcyclohexyl)-2-oxidanylidene-ethyl]benzenesulfonate Openeye Name: 2-pyridyl 4-[2-(3-methylcyclohexyl)-2-oxo-ethyl]benzenesulfonate CAS Name: 4-[2-(3-methylcyclohexyl)-2-oxoethyl]benzenesulfonic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 4-[2-(3-methylcyclohexyl)-2-oxoethyl]benzenesulfonate Traditional Name: 4-[2-keto-2-(3-methylcyclohexyl)ethyl]benzenesulfonic acid 2-pyridyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=N3

Isomeric SMILES

CC1CCCC(C1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=N3

InChI

InChI=1S/C20H23NO4S/c1-15-5-4-6-17(13-15)19(22)14-16-8-10-18(11-9-16)26(23,24)25-20-7-2-3-12-21-20/h2-3,7-12,15,17H,4-6,13-14H2,1H3