3-[6-(4-ethylsulfonylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrole-2,5-dione

Systemtic Name: 3-[6-(4-ethylsulfonylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrole-2,5-dione Openeye Name: 3-[6-(4-ethylsulfonylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrole-2,5-dione CAS Name: 3-[6-(4-ethylsulfonyl-1-piperazinyl)hexyl]-4-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrole-2,5-dione IUPAC Name: 3-[6-(4-ethylsulfonylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrole-2,5-dione Traditional Name: 3-[6-(4-esylpiperazino)hexyl]-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrroline-2,5-quinone Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CCCCCCC2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CCCCCCC2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C25H33N3O6S/c1-3-35(32,33)27-14-12-26(13-15-27)11-7-5-4-6-8-21-18(2)23(29)28(24(21)30)20-9-10-22-19(16-20)17-34-25(22)31/h9-10,16H,3-8,11-15,17H2,1-2H3