2-[3-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]propyl]isoindoline-1,3-quinone Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H25N5O5S/c1-22-17(14-8-12-23(13-9-14)31(2,29)30)21-25(20(22)28)11-5-10-24-18(26)15-6-3-4-7-16(15)19(24)27/h3-4,6-7,14H,5,8-13H2,1-2H3