[3-[[dimethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[dimethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[dimethylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[dimethylamino(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[dimethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[dimethylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)N(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)N(C)C

InChI

InChI=1S/C17H22N2O5S/c1-4-25(21,22)24-15-8-5-7-14(11-15)12-19(17(20)18(2)3)13-16-9-6-10-23-16/h5-11H,4,12-13H2,1-3H3