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

Systemtic Name: [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H25FN2O6S MolecularWeight: 440.485703

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O6S/c1-4-22-20(24)23(11-12-27-2)14-15-5-10-18(28-3)19(13-15)29-30(25,26)17-8-6-16(21)7-9-17/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)