[3-[[2-methoxyethyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(o-tolylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[(2-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(o-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-4-28(24,25)27-18-10-7-9-17(14-18)15-22(12-13-26-3)20(23)21-19-11-6-5-8-16(19)2/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23)