2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H23N5O6S MolecularWeight: 497.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O6S/c1-2-26-20-9-7-16(35(33,34)25-10-4-3-5-11-25)13-19(20)24-21(26)14-27-22(29)17-8-6-15(28(31)32)12-18(17)23(27)30/h6-9,12-13H,2-5,10-11,14H2,1H3