[3-[[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2,4-dimethoxyanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H28N2O7S MolecularWeight: 452.52122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O7S/c1-5-31(25,26)30-18-8-6-7-16(13-18)15-23(11-12-27-2)21(24)22-19-10-9-17(28-3)14-20(19)29-4/h6-10,13-14H,5,11-12,15H2,1-4H3,(H,22,24)