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

Systemtic Name: [3-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[oxo(thiophen-2-yl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C21H20FNO4S2 MolecularWeight: 433.516203

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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)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO4S2/c1-15(2)23(21(24)20-7-4-12-28-20)14-16-5-3-6-18(13-16)27-29(25,26)19-10-8-17(22)9-11-19/h3-13,15H,14H2,1-2H3