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

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzenesulfonamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitrobenzenesulfonamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-nitro-benzenesulfonamide Formula: C14H11N3O4S3 MolecularWeight: 381.44984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S3/c1-22-14-15-10-7-6-9(8-12(10)23-14)16-24(20,21)13-5-3-2-4-11(13)17(18)19/h2-8,16H,1H3