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

Systemtic Name: N-(1,3-benzoxazol-2-yl)-4-chloranyl-5-cyano-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: N-(1,3-benzoxazol-2-yl)-2-benzylsulfanyl-4-chloro-5-cyano-benzenesulfonamide CAS Name: N-(1,3-benzoxazol-2-yl)-4-chloro-5-cyano-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: N-(1,3-benzoxazol-2-yl)-2-benzylsulfanyl-4-chloro-5-cyanobenzenesulfonamide Traditional Name: N-(1,3-benzoxazol-2-yl)-2-(benzylthio)-4-chloro-5-cyano-benzenesulfonamide Formula: C21H14ClN3O3S2 MolecularWeight: 455.93716

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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=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H14ClN3O3S2/c22-16-11-19(29-13-14-6-2-1-3-7-14)20(10-15(16)12-23)30(26,27)25-21-24-17-8-4-5-9-18(17)28-21/h1-11H,13H2,(H,24,25)