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

Systemtic Name: [3-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C19H21FN2O4S/c1-2-21-19(23)22(16-8-9-16)13-14-4-3-5-17(12-14)26-27(24,25)18-10-6-15(20)7-11-18/h3-7,10-12,16H,2,8-9,13H2,1H3,(H,21,23)