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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H11N3O5S3 MolecularWeight: 433.48134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5S3/c1-28(24,25)11-3-4-12-14(8-11)27-17(18-12)19-16(21)15-7-9-6-10(20(22)23)2-5-13(9)26-15/h2-8H,1H3,(H,18,19,21)