N-(2,3-dihydro-1,4-benzodioxin-6-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-6-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-6-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-6-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-6-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-6-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)NCC4=CC5=C(C=C4)OCCO5)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCCO5)S(=O)(=O)C

InChI

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