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

Systemtic Name: [3-[[2-methoxyethyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(2-methylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(2-methylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(o-toluoyl)amino]methyl]phenyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)C2=CC=CC=C2C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H25NO5S/c1-4-27(23,24)26-18-10-7-9-17(14-18)15-21(12-13-25-3)20(22)19-11-6-5-8-16(19)2/h5-11,14H,4,12-13,15H2,1-3H3