1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]piperidine-2,6-dione

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]piperidine-2,6-dione Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]piperidine-2,6-dione CAS Name: 1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]piperidine-2,6-dione IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]piperidine-2,6-dione Traditional Name: 1-[4-(4-piperonylpiperazino)sulfonylphenyl]piperidine-2,6-quinone Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6S/c27-22-2-1-3-23(28)26(22)18-5-7-19(8-6-18)33(29,30)25-12-10-24(11-13-25)15-17-4-9-20-21(14-17)32-16-31-20/h4-9,14H,1-3,10-13,15-16H2