[3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[2-furylmethyl(isopropylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[2-furfuryl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)CC2=CC=CO2

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)CC2=CC=CO2

InChI

InChI=1S/C19H26N2O5S/c1-14(2)20-19(22)21(13-18-9-6-10-25-18)12-16-7-5-8-17(11-16)26-27(23,24)15(3)4/h5-11,14-15H,12-13H2,1-4H3,(H,20,22)