[4-chloranyl-2-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[isopropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[[oxo(thiophen-2-yl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[isopropyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C21H19ClFNO4S2 MolecularWeight: 467.961263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H19ClFNO4S2/c1-14(2)24(21(25)20-4-3-11-29-20)13-15-12-16(22)5-10-19(15)28-30(26,27)18-8-6-17(23)7-9-18/h3-12,14H,13H2,1-2H3