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

Systemtic Name: [4-chloranyl-2-[(2-methylpropylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[(isobutylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(2-methylpropylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[(isobutylamino)methyl]phenyl] ester Formula: C17H19ClFNO3S MolecularWeight: 371.854063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClFNO3S/c1-12(2)10-20-11-13-9-14(18)3-8-17(13)23-24(21,22)16-6-4-15(19)5-7-16/h3-9,12,20H,10-11H2,1-2H3