N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-methylsulfonyl-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methylsulfonylpiperazin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-mesyl-piperazin-2-yl]acetamide Formula: C23H27N7O5S MolecularWeight: 513.56938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C23H27N7O5S/c1-36(32,33)29-10-11-30(21-5-7-26-23(27-21)28-9-8-24-15-28)18(14-29)13-22(31)25-6-4-17-2-3-19-20(12-17)35-16-34-19/h2-3,5,7-9,12,15,18H,4,6,10-11,13-14,16H2,1H3,(H,25,31)