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

Systemtic Name: pyridin-2-yl 2-(3-chlorophenyl)carbonyl-5-ethyl-4-methyl-benzenesulfonate Openeye Name: 2-pyridyl 2-(3-chlorobenzoyl)-5-ethyl-4-methyl-benzenesulfonate CAS Name: 2-[(3-chlorophenyl)-oxomethyl]-5-ethyl-4-methylbenzenesulfonic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 2-(3-chlorobenzoyl)-5-ethyl-4-methylbenzenesulfonate Traditional Name: 2-(3-chlorobenzoyl)-5-ethyl-4-methyl-benzenesulfonic acid 2-pyridyl ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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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)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO4S/c1-3-15-13-19(28(25,26)27-20-9-4-5-10-23-20)18(11-14(15)2)21(24)16-7-6-8-17(22)12-16/h4-13H,3H2,1-2H3