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

Systemtic Name: [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H23FN2O5S MolecularWeight: 410.459723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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