[3-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl(isobutyryl)amino]methyl]phenyl] ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO4S/c1-14(2)20(23)22(17-8-9-17)13-15-4-3-5-18(12-15)26-27(24,25)19-10-6-16(21)7-11-19/h3-7,10-12,14,17H,8-9,13H2,1-2H3