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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-octylsulfonyl-2-piperazinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-octylsulfonylpiperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide Formula: C30H40ClN7O5S MolecularWeight: 646.2005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C30H40ClN7O5S/c1-2-3-4-5-6-7-16-44(40,41)37-12-13-38(28-19-27(31)34-30(35-28)36-11-10-32-22-36)24(21-37)18-29(39)33-20-23-8-9-25-26(17-23)43-15-14-42-25/h8-11,17,19,22,24H,2-7,12-16,18,20-21H2,1H3,(H,33,39)