[4-[[butan-2-yl(dimethylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl(dimethylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[dimethylcarbamoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[dimethylamino(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(dimethylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[dimethylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C20H25FN2O4S MolecularWeight: 408.486903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O4S/c1-5-15(2)23(20(24)22(3)4)14-16-6-10-18(11-7-16)27-28(25,26)19-12-8-17(21)9-13-19/h6-13,15H,5,14H2,1-4H3