[4-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclobutanecarbonyl(2-furylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclobutanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclobutanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCC3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCC3

InChI

InChI=1S/C20H25NO5S/c1-15(2)27(23,24)26-18-10-8-16(9-11-18)13-21(14-19-7-4-12-25-19)20(22)17-5-3-6-17/h4,7-12,15,17H,3,5-6,13-14H2,1-2H3