pyridin-4-yl 3-(4-methoxyphenyl)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: pyridin-4-yl 3-(4-methoxyphenyl)-3-oxidanylidene-propane-1-sulfonate Openeye Name: 4-pyridyl 3-(4-methoxyphenyl)-3-oxo-propane-1-sulfonate CAS Name: 3-(4-methoxyphenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: pyridin-4-yl 3-(4-methoxyphenyl)-3-oxopropane-1-sulfonate Traditional Name: 3-keto-3-(4-methoxyphenyl)propane-1-sulfonic acid 4-pyridyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCS(=O)(=O)OC2=CC=NC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCS(=O)(=O)OC2=CC=NC=C2

InChI

InChI=1S/C15H15NO5S/c1-20-13-4-2-12(3-5-13)15(17)8-11-22(18,19)21-14-6-9-16-10-7-14/h2-7,9-10H,8,11H2,1H3