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

Systemtic Name: [2-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H23FN2O5S MolecularWeight: 410.459723

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCNC(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H23FN2O5S/c1-3-21-19(23)22(12-13-26-2)14-15-6-4-5-7-18(15)27-28(24,25)17-10-8-16(20)9-11-17/h4-11H,3,12-14H2,1-2H3,(H,21,23)