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

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2-iodanyl-3-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 3-benzyl-6-(1-formamido-3-oxo-propyl)-2-iodo-benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-2-iodo-3-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-6-(1-formamido-3-oxopropyl)-2-iodobenzenesulfonate Traditional Name: 3-benzyl-6-(1-formamido-3-keto-propyl)-2-iodo-benzenesulfonic acid phenyl ester Formula: C23H20INO5S MolecularWeight: 549.37807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3)I

InChI

InChI=1S/C23H20INO5S/c24-22-18(15-17-7-3-1-4-8-17)11-12-20(21(13-14-26)25-16-27)23(22)31(28,29)30-19-9-5-2-6-10-19/h1-12,14,16,21H,13,15H2,(H,25,27)