[4-(4-fluorophenyl)carbonylphenyl] 4-(acetamidomethyl)benzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 4-(acetamidomethyl)benzenesulfonate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 4-(acetamidomethyl)benzenesulfonate CAS Name: 4-(acetamidomethyl)benzenesulfonic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 4-(acetamidomethyl)benzenesulfonate Traditional Name: 4-(acetamidomethyl)benzenesulfonic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C22H18FNO5S MolecularWeight: 427.445423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FNO5S/c1-15(25)24-14-16-2-12-21(13-3-16)30(27,28)29-20-10-6-18(7-11-20)22(26)17-4-8-19(23)9-5-17/h2-13H,14H2,1H3,(H,24,25)