N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-methylsulfonyl-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylsulfonylpiperazin-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-mesyl-piperazin-2-yl]-N-piperonyl-acetamide Formula: C22H24ClN7O5S MolecularWeight: 533.98786

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C22H24ClN7O5S/c1-36(32,33)29-6-7-30(20-10-19(23)26-22(27-20)28-5-4-24-13-28)16(12-29)9-21(31)25-11-15-2-3-17-18(8-15)35-14-34-17/h2-5,8,10,13,16H,6-7,9,11-12,14H2,1H3,(H,25,31)