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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-octylsulfonyl-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-octylsulfonylpiperazin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]acetamide Formula: C30H41N7O5S MolecularWeight: 611.75544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N7O5S/c1-2-3-4-5-6-7-18-43(39,40)36-16-17-37(28-11-13-33-30(34-28)35-15-14-31-22-35)25(21-36)20-29(38)32-12-10-24-8-9-26-27(19-24)42-23-41-26/h8-9,11,13-15,19,22,25H,2-7,10,12,16-18,20-21,23H2,1H3,(H,32,38)