N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxamide Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6S/c22-16(12-3-5-13(6-4-12)21(24)25)11-19-17(23)15-9-14(10-18-15)28(26,27)20-7-1-2-8-20/h3-6,9-10,16,18,22H,1-2,7-8,11H2,(H,19,23)