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

Systemtic Name: 5-nitro-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C19H17N3O6S2 MolecularWeight: 447.48478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S2/c23-16-5-4-14(30(27,28)21-7-1-2-8-21)11-15(16)20-19(24)18-10-12-9-13(22(25)26)3-6-17(12)29-18/h3-6,9-11,23H,1-2,7-8H2,(H,20,24)