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

Systemtic Name: [4-[[butan-2-yl(2,2-diphenylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2,2-diphenylacetyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(2,2-diphenylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2,2-diphenylacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C31H30FNO4S MolecularWeight: 531.637603

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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)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H30FNO4S/c1-3-23(2)33(31(34)30(25-10-6-4-7-11-25)26-12-8-5-9-13-26)22-24-14-18-28(19-15-24)37-38(35,36)29-20-16-27(32)17-21-29/h4-21,23,30H,3,22H2,1-2H3