4-chloranyl-N-(5-chloranyl-1,3-benzoxazol-2-yl)-5-cyano-2-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(5-chloranyl-1,3-benzoxazol-2-yl)-5-cyano-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-4-chloro-N-(5-chloro-1,3-benzoxazol-2-yl)-5-cyano-benzenesulfonamide CAS Name: 4-chloro-N-(5-chloro-1,3-benzoxazol-2-yl)-5-cyano-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-4-chloro-N-(5-chloro-1,3-benzoxazol-2-yl)-5-cyanobenzenesulfonamide Traditional Name: 2-(benzylthio)-4-chloro-N-(5-chloro-1,3-benzoxazol-2-yl)-5-cyano-benzenesulfonamide Formula: C21H13Cl2N3O3S2 MolecularWeight: 490.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H13Cl2N3O3S2/c22-15-6-7-18-17(9-15)25-21(29-18)26-31(27,28)20-8-14(11-24)16(23)10-19(20)30-12-13-4-2-1-3-5-13/h1-10H,12H2,(H,25,26)