[3-[[(3,5-dimethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3,5-dimethoxyanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H26N2O7S/c1-4-33(27,28)32-19-8-5-7-17(11-19)15-25(16-20-9-6-10-31-20)23(26)24-18-12-21(29-2)14-22(13-18)30-3/h5-14H,4,15-16H2,1-3H3,(H,24,26)