1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]pyrrolidine-2,5-dione IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione Traditional Name: 1-[4-(4-piperonylpiperazino)sulfonylphenyl]pyrrolidine-2,5-quinone Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O6S/c26-21-7-8-22(27)25(21)17-2-4-18(5-3-17)32(28,29)24-11-9-23(10-12-24)14-16-1-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2