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

Systemtic Name: [3-[[butan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[sec-butyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[sec-butyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C22H22FNO4S2 MolecularWeight: 447.542783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO4S2/c1-3-16(2)24(22(25)21-8-5-13-29-21)15-17-6-4-7-19(14-17)28-30(26,27)20-11-9-18(23)10-12-20/h4-14,16H,3,15H2,1-2H3