phenyl 3-bromanyl-2-chloranyl-6-(1-formamido-3-oxidanylidene-propyl)benzenesulfonate

Systemtic Name: phenyl 3-bromanyl-2-chloranyl-6-(1-formamido-3-oxidanylidene-propyl)benzenesulfonate Openeye Name: phenyl 3-bromo-2-chloro-6-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 3-bromo-2-chloro-6-(1-formamido-3-oxopropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-bromo-2-chloro-6-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 3-bromo-2-chloro-6-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C16H13BrClNO5S MolecularWeight: 446.70012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2Cl)Br)C(CC=O)NC=O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2Cl)Br)C(CC=O)NC=O

InChI

InChI=1S/C16H13BrClNO5S/c17-13-7-6-12(14(8-9-20)19-10-21)16(15(13)18)25(22,23)24-11-4-2-1-3-5-11/h1-7,9-10,14H,8H2,(H,19,21)