[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[(isopropylamino)methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[(isopropylamino)methyl]-2-methoxy-phenyl] ester Formula: C17H20FNO4S MolecularWeight: 353.408403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FNO4S/c1-12(2)19-11-13-4-9-16(22-3)17(10-13)23-24(20,21)15-7-5-14(18)6-8-15/h4-10,12,19H,11H2,1-3H3