(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H23NO7S MolecularWeight: 409.45342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C)O

InChI

InChI=1S/C19H23NO7S/c1-3-12-8-15-14(9-18(22)27-17(15)10-16(12)21)11-26-19(23)13-4-6-20(7-5-13)28(2,24)25/h8-10,13,21H,3-7,11H2,1-2H3