4-[3-chloranyl-4-oxidanylidene-2,2-bis(sulfanyl)azetidin-1-yl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[3-chloranyl-4-oxidanylidene-2,2-bis(sulfanyl)azetidin-1-yl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[3-chloro-4-oxo-2,2-bis(sulfanyl)azetidin-1-yl]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-(3-chloro-2,2-dimercapto-4-oxo-1-azetidinyl)-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[3-chloro-4-oxo-2,2-bis(sulfanyl)azetidin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(3-chloro-4-keto-2,2-dimercapto-azetidin-1-yl)-N-(2-pyrimidyl)benzenesulfonamide Formula: C13H11ClN4O3S3 MolecularWeight: 402.89944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(C3(S)S)Cl

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(C3(S)S)Cl

InChI

InChI=1S/C13H11ClN4O3S3/c14-10-11(19)18(13(10,22)23)8-2-4-9(5-3-8)24(20,21)17-12-15-6-1-7-16-12/h1-7,10,22-23H,(H,15,16,17)