methyl 5-[cyano(morpholin-4-yl)methyl]-1-methylsulfonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[cyano(morpholin-4-yl)methyl]-1-methylsulfonyl-pyrrole-3-carboxylate Openeye Name: methyl 5-[cyano(morpholino)methyl]-1-methylsulfonyl-pyrrole-3-carboxylate CAS Name: 5-[cyano(4-morpholinyl)methyl]-1-methylsulfonyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[cyano(morpholin-4-yl)methyl]-1-methylsulfonylpyrrole-3-carboxylate Traditional Name: 5-[cyano(morpholino)methyl]-1-mesyl-pyrrole-3-carboxylic acid methyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=C1)C(C#N)N2CCOCC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CN(C(=C1)C(C#N)N2CCOCC2)S(=O)(=O)C

InChI

InChI=1S/C13H17N3O5S/c1-20-13(17)10-7-11(16(9-10)22(2,18)19)12(8-14)15-3-5-21-6-4-15/h7,9,12H,3-6H2,1-2H3