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

Systemtic Name: [4-chloranyl-2-[[cyclopropyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[cyclopropyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C19H19ClFNO5S MolecularWeight: 427.874263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFNO5S/c1-26-12-19(23)22(16-5-6-16)11-13-10-14(20)2-9-18(13)27-28(24,25)17-7-3-15(21)4-8-17/h2-4,7-10,16H,5-6,11-12H2,1H3