[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H18BrN3O5S/c19-14-9-13(10-20-11-14)18(24)27-12-17(23)21-15-3-5-16(6-4-15)28(25,26)22-7-1-2-8-22/h3-6,9-11H,1-2,7-8,12H2,(H,21,23)