2-[[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-4-piperidyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperidin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(4-nitro-2-pyrrolidinosulfonyl-phenyl)-4-piperidyl]methyl]isoindoline-1,3-quinone Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H26N4O6S/c29-23-19-5-1-2-6-20(19)24(30)27(23)16-17-9-13-25(14-10-17)21-8-7-18(28(31)32)15-22(21)35(33,34)26-11-3-4-12-26/h1-2,5-8,15,17H,3-4,9-14,16H2