[3-[(2-methylpropylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[(2-methylpropylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[(isobutylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [3-[(2-methylpropylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[(isobutylamino)methyl]phenyl] ester Formula: C17H20FNO3S MolecularWeight: 337.409003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CNCC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FNO3S/c1-13(2)11-19-12-14-4-3-5-16(10-14)22-23(20,21)17-8-6-15(18)7-9-17/h3-10,13,19H,11-12H2,1-2H3