[4-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[cyclopropyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[cyclopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

CC(C)CC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C21H24FNO4S/c1-15(2)13-21(24)23(18-7-8-18)14-16-3-9-19(10-4-16)27-28(25,26)20-11-5-17(22)6-12-20/h3-6,9-12,15,18H,7-8,13-14H2,1-2H3