[3-[(phenylmethyl)carbamoyl]phenyl] 5-fluoranyl-2-methyl-benzenesulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 5-fluoranyl-2-methyl-benzenesulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 5-fluoro-2-methyl-benzenesulfonate CAS Name: 5-fluoro-2-methylbenzenesulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 5-fluoro-2-methylbenzenesulfonate Traditional Name: 5-fluoro-2-methyl-benzenesulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H18FNO4S/c1-15-10-11-18(22)13-20(15)28(25,26)27-19-9-5-8-17(12-19)21(24)23-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,24)