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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-2-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-4-methylsulfonyl-2-piperazinyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-methylsulfonylpiperazin-2-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-mesyl-piperazin-2-yl]acetamide Formula: C26H33N7O5S MolecularWeight: 555.64912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4COC5=CC=CC=C5O4)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4COC5=CC=CC=C5O4)S(=O)(=O)C

InChI

InChI=1S/C26H33N7O5S/c1-18(2)21-13-24(30-26(29-21)31-9-8-27-17-31)33-11-10-32(39(3,35)36)15-19(33)12-25(34)28-14-20-16-37-22-6-4-5-7-23(22)38-20/h4-9,13,17-20H,10-12,14-16H2,1-3H3,(H,28,34)