[3-(4-methoxyphenyl)-3-oxidanylidene-2-phenylmethoxy-propyl] pyrazole-1-sulfonate

Systemtic Name: [3-(4-methoxyphenyl)-3-oxidanylidene-2-phenylmethoxy-propyl] pyrazole-1-sulfonate Openeye Name: [2-benzyloxy-3-(4-methoxyphenyl)-3-oxo-propyl] pyrazole-1-sulfonate CAS Name: 1-pyrazolesulfonic acid [3-(4-methoxyphenyl)-3-oxo-2-phenylmethoxypropyl] ester IUPAC Name: [3-(4-methoxyphenyl)-3-oxo-2-phenylmethoxypropyl] pyrazole-1-sulfonate Traditional Name: pyrazole-1-sulfonic acid [2-benzoxy-3-keto-3-(4-methoxyphenyl)propyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(COS(=O)(=O)N2C=CC=N2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(COS(=O)(=O)N2C=CC=N2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6S/c1-26-18-10-8-17(9-11-18)20(23)19(27-14-16-6-3-2-4-7-16)15-28-29(24,25)22-13-5-12-21-22/h2-13,19H,14-15H2,1H3