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

Systemtic Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3,4-dimethylanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-5-29(25,26)28-20-10-7-18(8-11-20)15-23(12-13-27-4)21(24)22-19-9-6-16(2)17(3)14-19/h6-11,14H,5,12-13,15H2,1-4H3,(H,22,24)