phenyl 6-fluoranyl-3-(1-formamido-3-oxidanylidene-propyl)-2-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 6-fluoranyl-3-(1-formamido-3-oxidanylidene-propyl)-2-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 2-benzyl-6-fluoro-3-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 6-fluoro-3-(1-formamido-3-oxopropyl)-2-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-benzyl-6-fluoro-3-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2-benzyl-6-fluoro-3-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C23H20FNO5S MolecularWeight: 441.472003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)F)C(CC=O)NC=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)F)C(CC=O)NC=O

InChI

InChI=1S/C23H20FNO5S/c24-21-12-11-19(22(13-14-26)25-16-27)20(15-17-7-3-1-4-8-17)23(21)31(28,29)30-18-9-5-2-6-10-18/h1-12,14,16,22H,13,15H2,(H,25,27)