phenyl 4-(1-formamido-3-oxidanylidene-propyl)-3-iodanyl-2-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-3-iodanyl-2-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 2-benzyl-4-(1-formamido-3-oxo-propyl)-3-iodo-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-3-iodo-2-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-benzyl-4-(1-formamido-3-oxopropyl)-3-iodobenzenesulfonate Traditional Name: 2-benzyl-4-(1-formamido-3-keto-propyl)-3-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=CC(=C2I)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2I)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

InChI

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