[3-[[2-methoxyethyl-(4-methylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl-(4-methylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[(4-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(p-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=C(C=C2)C

Isomeric SMILES

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

InChI

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