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

Systemtic Name: [3-[[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2,4-dimethylanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,4-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=CC(=C1)CN(CCOC)C(=O)NC2=C(C=C(C=C2)C)C

Isomeric SMILES

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

InChI

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