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

Systemtic Name: 4-(3-nitrophenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-(3-nitrophenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(3-nitrophenyl)sulfonyl-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-nitrophenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(3-nitrophenyl)sulfonyl-N-[2-(pyrrolidinomethyl)benzyl]piperazine-1-carboxamide Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5S/c29-23(24-17-19-6-1-2-7-20(19)18-25-10-3-4-11-25)26-12-14-27(15-13-26)34(32,33)22-9-5-8-21(16-22)28(30)31/h1-2,5-9,16H,3-4,10-15,17-18H2,(H,24,29)