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

Systemtic Name: [4-chloranyl-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C19H20ClFN2O4S MolecularWeight: 426.889503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O4S/c1-2-22-19(24)23(16-6-7-16)12-13-11-14(20)3-10-18(13)27-28(25,26)17-8-4-15(21)5-9-17/h3-5,8-11,16H,2,6-7,12H2,1H3,(H,22,24)