methyl 2-ethyl-3-methylsulfonyl-4-pyridin-3-yl-benzoate

Systemtic Name: methyl 2-ethyl-3-methylsulfonyl-4-pyridin-3-yl-benzoate Openeye Name: methyl 2-ethyl-3-methylsulfonyl-4-(3-pyridyl)benzoate CAS Name: 2-ethyl-3-methylsulfonyl-4-(3-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 2-ethyl-3-methylsulfonyl-4-pyridin-3-ylbenzoate Traditional Name: 2-ethyl-3-mesyl-4-(3-pyridyl)benzoic acid methyl ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)C2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)C2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C16H17NO4S/c1-4-12-14(16(18)21-2)8-7-13(15(12)22(3,19)20)11-6-5-9-17-10-11/h5-10H,4H2,1-3H3