3-methyl-2-oxidanylidene-N-[2-(phenylmethylsulfanyl)phenyl]-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 3-methyl-2-oxidanylidene-N-[2-(phenylmethylsulfanyl)phenyl]-1,3-benzoxazole-6-sulfonamide Openeye Name: N-(2-benzylsulfanylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-2-oxo-N-[2-(phenylmethylthio)phenyl]-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(2-benzylsulfanylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[2-(benzylthio)phenyl]-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3SCC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3SCC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C21H18N2O4S2/c1-23-18-12-11-16(13-19(18)27-21(23)24)29(25,26)22-17-9-5-6-10-20(17)28-14-15-7-3-2-4-8-15/h2-13,22H,14H2,1H3