[4-chloranyl-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C22H20ClFN2O4S MolecularWeight: 462.921603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CNCC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CNCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H20ClFN2O4S/c1-15(27)26-20-7-9-21(10-8-20)31(28,29)30-22-11-4-18(23)12-17(22)14-25-13-16-2-5-19(24)6-3-16/h2-12,25H,13-14H2,1H3,(H,26,27)