[4-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3,5-dimethoxyanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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