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

Systemtic Name: [4-chloranyl-2-[(propan-2-ylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[(isopropylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(propan-2-ylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[(isopropylamino)methyl]phenyl] ester Formula: C16H17ClFNO3S MolecularWeight: 357.827483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFNO3S/c1-11(2)19-10-12-9-13(17)3-8-16(12)22-23(20,21)15-6-4-14(18)5-7-15/h3-9,11,19H,10H2,1-2H3