N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H14N2O6S2 MolecularWeight: 406.43286

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6S2/c1-2-27(24,25)12-4-5-14(20)13(9-12)18-17(21)16-8-10-7-11(19(22)23)3-6-15(10)26-16/h3-9,20H,2H2,1H3,(H,18,21)