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

Systemtic Name: 2-[2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H26N4O4S2/c1-2-27-21-11-10-17(34(31,32)26-12-6-3-7-13-26)16-20(21)25-24(27)33-15-14-28-22(29)18-8-4-5-9-19(18)23(28)30/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3