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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

InChI

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