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

Systemtic Name: [4-[[butan-2-yl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2-methylbenzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(2-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[o-toluoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C25H26FNO4S MolecularWeight: 455.541643

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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)C3=CC=CC=C3C

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H26FNO4S/c1-4-19(3)27(25(28)24-8-6-5-7-18(24)2)17-20-9-13-22(14-10-20)31-32(29,30)23-15-11-21(26)12-16-23/h5-16,19H,4,17H2,1-3H3