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

Systemtic Name: [3-[[2-phenylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(1-oxo-2-phenylbutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-phenylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl(2-phenylbutanoyl)amino]methyl]phenyl] ester Formula: C26H28FNO4S MolecularWeight: 469.568223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C

InChI

InChI=1S/C26H28FNO4S/c1-4-25(21-10-6-5-7-11-21)26(29)28(19(2)3)18-20-9-8-12-23(17-20)32-33(30,31)24-15-13-22(27)14-16-24/h5-17,19,25H,4,18H2,1-3H3