N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-octylsulfonyl-piperazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-octylsulfonyl-piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-octylsulfonyl-piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[6-(1-imidazolyl)-4-pyrimidinyl]-1-octylsulfonyl-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-octylsulfonylpiperazin-2-yl]acetamide Traditional Name: 2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-octylsulfonyl-piperazin-2-yl]-N-piperonyl-acetamide Formula: C29H39N7O5S MolecularWeight: 597.72886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C29H39N7O5S/c1-2-3-4-5-6-7-14-42(38,39)36-13-12-34(27-17-28(33-20-32-27)35-11-10-30-21-35)19-24(36)16-29(37)31-18-23-8-9-25-26(15-23)41-22-40-25/h8-11,15,17,20-21,24H,2-7,12-14,16,18-19,22H2,1H3,(H,31,37)