N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-nitro-benzenesulfonamide Formula: C14H11N3O5S3 MolecularWeight: 397.44924

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S3/c1-23-14-15-10-4-2-8(6-13(10)24-14)16-25(21,22)9-3-5-12(18)11(7-9)17(19)20/h2-7,16,18H,1H3