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

Systemtic Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-nitro-benzenesulfonamide Formula: C15H13N3O5S3 MolecularWeight: 411.47582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S3/c1-23-13-6-4-10(8-12(13)18(19)20)26(21,22)17-9-3-5-11-14(7-9)25-15(16-11)24-2/h3-8,17H,1-2H3