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

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C18H18BrN3O6S MolecularWeight: 484.32102

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H18BrN3O6S/c19-14-9-13(10-20-11-14)18(24)28-12-17(23)21-15-1-3-16(4-2-15)29(25,26)22-5-7-27-8-6-22/h1-4,9-11H,5-8,12H2,(H,21,23)