[4-[[(2-ethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(2-ethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-ethoxyphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2-ethoxyanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-ethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[2-furfuryl(o-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)CC)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)CC)CC3=CC=CO3

InChI

InChI=1S/C23H26N2O6S/c1-3-29-22-10-6-5-9-21(22)24-23(26)25(17-20-8-7-15-30-20)16-18-11-13-19(14-12-18)31-32(27,28)4-2/h5-15H,3-4,16-17H2,1-2H3,(H,24,26)