(3-morpholin-4-ylsulfonylphenyl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (3-morpholinosulfonylbenzyl) ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O5S/c18-15-9-14(10-19-11-15)17(21)25-12-13-2-1-3-16(8-13)26(22,23)20-4-6-24-7-5-20/h1-3,8-11H,4-7,12H2