methyl 2-azanyl-5-methylsulfonyl-4-(4-oxidanylidene-1H-pyridin-2-yl)benzoate

Systemtic Name: methyl 2-azanyl-5-methylsulfonyl-4-(4-oxidanylidene-1H-pyridin-2-yl)benzoate Openeye Name: methyl 2-amino-5-methylsulfonyl-4-(4-oxo-1H-pyridin-2-yl)benzoate CAS Name: 2-amino-5-methylsulfonyl-4-(4-oxo-1H-pyridin-2-yl)benzoic acid methyl ester IUPAC Name: methyl 2-amino-5-methylsulfonyl-4-(4-oxo-1H-pyridin-2-yl)benzoate Traditional Name: 2-amino-4-(4-keto-1H-pyridin-2-yl)-5-mesyl-benzoic acid methyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C(=C1)S(=O)(=O)C)C2=CC(=O)C=CN2)N

Isomeric SMILES

COC(=O)C1=C(C=C(C(=C1)S(=O)(=O)C)C2=CC(=O)C=CN2)N

InChI

InChI=1S/C14H14N2O5S/c1-21-14(18)9-7-13(22(2,19)20)10(6-11(9)15)12-5-8(17)3-4-16-12/h3-7H,15H2,1-2H3,(H,16,17)