[1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C16H15BrN2O5S MolecularWeight: 427.2697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H15BrN2O5S/c1-10(24-16(21)12-7-13(17)9-18-8-12)15(20)11-3-5-14(6-4-11)19-25(2,22)23/h3-10,19H,1-2H3