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

Systemtic Name: 4-chloranyl-5-methyl-N-(5-methyl-1,3-benzoxazol-2-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-4-chloro-5-methyl-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide CAS Name: 4-chloro-5-methyl-N-(5-methyl-1,3-benzoxazol-2-yl)-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-4-chloro-5-methyl-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide Traditional Name: 2-(benzylthio)-4-chloro-5-methyl-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide Formula: C22H19ClN2O3S2 MolecularWeight: 458.98086

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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)Cl)SCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O3S2/c1-14-8-9-19-18(10-14)24-22(28-19)25-30(26,27)21-11-15(2)17(23)12-20(21)29-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,24,25)