[5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CCOC)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCNC(=O)N(CCOC)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O7S/c1-5-22-21(24)23(12-13-27-2)15-16-6-11-19(29-4)20(14-16)30-31(25,26)18-9-7-17(28-3)8-10-18/h6-11,14H,5,12-13,15H2,1-4H3,(H,22,24)