4-(3-nitrophenyl)sulfonyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(3-nitrophenyl)sulfonyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-(3-nitrophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(3-nitrophenyl)sulfonyl-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-nitrophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6S/c28-21-5-2-10-26(21)18-8-6-17(7-9-18)16-23-22(29)24-11-13-25(14-12-24)34(32,33)20-4-1-3-19(15-20)27(30)31/h1,3-4,6-9,15H,2,5,10-14,16H2,(H,23,29)