N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3-pyrrolidinosulfonyl-thiophene-2-carboxamide Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H17N3O6S2/c20-13-4-3-12(19(22)23)9-11(13)10-17-16(21)15-14(5-8-26-15)27(24,25)18-6-1-2-7-18/h3-5,8-9,20H,1-2,6-7,10H2,(H,17,21)