phenyl 3-(1-formamido-3-oxidanylidene-propyl)-2-iodanyl-6-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-2-iodanyl-6-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 6-(benzenesulfonyl)-3-(1-formamido-3-oxo-propyl)-2-iodo-benzenesulfonate CAS Name: 6-(benzenesulfonyl)-3-(1-formamido-3-oxopropyl)-2-iodobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-(benzenesulfonyl)-3-(1-formamido-3-oxopropyl)-2-iodobenzenesulfonate Traditional Name: 6-besyl-3-(1-formamido-3-keto-propyl)-2-iodo-benzenesulfonic acid phenyl ester Formula: C22H18INO7S2 MolecularWeight: 599.41529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2I)C(CC=O)NC=O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2I)C(CC=O)NC=O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18INO7S2/c23-21-18(19(13-14-25)24-15-26)11-12-20(32(27,28)17-9-5-2-6-10-17)22(21)33(29,30)31-16-7-3-1-4-8-16/h1-12,14-15,19H,13H2,(H,24,26)