(3-morpholin-4-ylsulfonylphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N2O5S2/c1-26-17-16(6-3-7-19-17)18(21)25-13-14-4-2-5-15(12-14)27(22,23)20-8-10-24-11-9-20/h2-7,12H,8-11,13H2,1H3