2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-methylsulfonyl-2-piperazinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylsulfonylpiperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-mesyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide Formula: C23H26ClN7O5S MolecularWeight: 548.01444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C23H26ClN7O5S/c1-37(33,34)30-6-7-31(21-12-20(24)27-23(28-21)29-5-4-25-15-29)17(14-30)11-22(32)26-13-16-2-3-18-19(10-16)36-9-8-35-18/h2-5,10,12,15,17H,6-9,11,13-14H2,1H3,(H,26,32)