N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Formula: C13H9N3O5S3 MolecularWeight: 383.42266

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5S3/c1-24(20,21)7-2-3-8-10(6-7)23-13(14-8)15-12(17)9-4-5-11(22-9)16(18)19/h2-6H,1H3,(H,14,15,17)