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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-methylsulfonyl-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-methylsulfonylpiperazin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-mesyl-piperazin-2-yl]acetamide Formula: C24H29N7O5S MolecularWeight: 527.59596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC5=C(C=C4)OCO5)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC5=C(C=C4)OCO5)S(=O)(=O)C

InChI

InChI=1S/C24H29N7O5S/c1-17-11-22(28-24(27-17)29-8-7-25-15-29)31-10-9-30(37(2,33)34)14-19(31)13-23(32)26-6-5-18-3-4-20-21(12-18)36-16-35-20/h3-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1-2H3,(H,26,32)