3-methyl-4-[6-(4-methylsulfonylpiperazin-1-yl)hexyl]-1-(1-oxidanylidene-2,3-dihydroinden-5-yl)pyrrole-2,5-dione

Systemtic Name: 3-methyl-4-[6-(4-methylsulfonylpiperazin-1-yl)hexyl]-1-(1-oxidanylidene-2,3-dihydroinden-5-yl)pyrrole-2,5-dione Openeye Name: 3-methyl-4-[6-(4-methylsulfonylpiperazin-1-yl)hexyl]-1-(1-oxoindan-5-yl)pyrrole-2,5-dione CAS Name: 3-methyl-4-[6-(4-methylsulfonyl-1-piperazinyl)hexyl]-1-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2,5-dione IUPAC Name: 3-methyl-4-[6-(4-methylsulfonylpiperazin-1-yl)hexyl]-1-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2,5-dione Traditional Name: 1-(1-ketoindan-5-yl)-3-[6-(4-mesylpiperazino)hexyl]-4-methyl-3-pyrroline-2,5-quinone Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)CC3)CCCCCCN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)CC3)CCCCCCN4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C25H33N3O5S/c1-18-21(7-5-3-4-6-12-26-13-15-27(16-14-26)34(2,32)33)25(31)28(24(18)30)20-9-10-22-19(17-20)8-11-23(22)29/h9-10,17H,3-8,11-16H2,1-2H3