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

Systemtic Name: [4-[[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2,3-dimethylanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2,3-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=CC(=C2C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CCOC)C(=O)NC2=CC=CC(=C2C)C

InChI

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