[3-[[2-chloranylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-chloranylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-chloropropanoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2-chloro-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-chloropropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-chloropropanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C19H21ClFNO4S MolecularWeight: 413.890743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFNO4S/c1-13(2)22(19(23)14(3)20)12-15-5-4-6-17(11-15)26-27(24,25)18-9-7-16(21)8-10-18/h4-11,13-14H,12H2,1-3H3