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

Systemtic Name: 4-chloranyl-5-cyano-N-(5-methyl-1,3-benzoxazol-2-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-4-chloro-5-cyano-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide CAS Name: 4-chloro-5-cyano-N-(5-methyl-1,3-benzoxazol-2-yl)-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-4-chloro-5-cyano-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide Traditional Name: 2-(benzylthio)-4-chloro-5-cyano-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide Formula: C22H16ClN3O3S2 MolecularWeight: 469.96374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C#N)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C#N)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C22H16ClN3O3S2/c1-14-7-8-19-18(9-14)25-22(29-19)26-31(27,28)21-10-16(12-24)17(23)11-20(21)30-13-15-5-3-2-4-6-15/h2-11H,13H2,1H3,(H,25,26)