[4-[(propan-2-ylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[(propan-2-ylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[(isopropylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-[(propan-2-ylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[(isopropylamino)methyl]phenyl] ester Formula: C16H18FNO3S MolecularWeight: 323.382423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FNO3S/c1-12(2)18-11-13-3-7-15(8-4-13)21-22(19,20)16-9-5-14(17)6-10-16/h3-10,12,18H,11H2,1-2H3