[5-[[furan-2-ylcarbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[furan-2-ylcarbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[furan-2-carbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[furan-2-carbonyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[2-furoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H25NO7S MolecularWeight: 411.4693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2=CC=CO2)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2=CC=CO2)OC

InChI

InChI=1S/C19H25NO7S/c1-14(2)28(22,23)27-18-12-15(7-8-16(18)25-4)13-20(9-11-24-3)19(21)17-6-5-10-26-17/h5-8,10,12,14H,9,11,13H2,1-4H3