3-[5-(4-cyclopropylsulfonylpiperazin-1-yl)pentyl]-4-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrole-2,5-dione

Systemtic Name: 3-[5-(4-cyclopropylsulfonylpiperazin-1-yl)pentyl]-4-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrole-2,5-dione Openeye Name: 3-[5-(4-cyclopropylsulfonylpiperazin-1-yl)pentyl]-4-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrole-2,5-dione CAS Name: 3-[5-(4-cyclopropylsulfonyl-1-piperazinyl)pentyl]-4-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrole-2,5-dione IUPAC Name: 3-[5-(4-cyclopropylsulfonylpiperazin-1-yl)pentyl]-4-methyl-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrole-2,5-dione Traditional Name: 3-[5-(4-cyclopropylsulfonylpiperazino)pentyl]-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrroline-2,5-quinone Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)OC3)CCCCCN4CCN(CC4)S(=O)(=O)C5CC5

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)OC3)CCCCCN4CCN(CC4)S(=O)(=O)C5CC5

InChI

InChI=1S/C25H31N3O6S/c1-17-21(24(30)28(23(17)29)19-6-9-22-18(15-19)16-34-25(22)31)5-3-2-4-10-26-11-13-27(14-12-26)35(32,33)20-7-8-20/h6,9,15,20H,2-5,7-8,10-14,16H2,1H3