N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-octylsulfonyl-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-octylsulfonyl-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-octylsulfonyl-piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-octylsulfonyl-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-octylsulfonylpiperazin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]acetamide Formula: C31H43N7O5S MolecularWeight: 625.78202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C31H43N7O5S/c1-3-4-5-6-7-8-17-44(40,41)37-15-16-38(29-18-24(2)34-31(35-29)36-14-13-32-22-36)26(21-37)20-30(39)33-12-11-25-9-10-27-28(19-25)43-23-42-27/h9-10,13-14,18-19,22,26H,3-8,11-12,15-17,20-21,23H2,1-2H3,(H,33,39)