2-[2-(6-imidazol-1-ylpyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-piperazin-2-yl]ethanamide

Systemtic Name: 2-[2-(6-imidazol-1-ylpyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-piperazin-2-yl]ethanamide Openeye Name: 2-[2-(6-imidazol-1-ylpyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-piperazin-2-yl]acetamide CAS Name: 2-[2-[6-(1-imidazolyl)-4-pyrimidinyl]-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-2-piperazinyl]acetamide IUPAC Name: 2-[2-(6-imidazol-1-ylpyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonylpiperazin-2-yl]acetamide Traditional Name: 2-[2-(6-imidazol-1-ylpyrimidin-4-yl)-1-[1-(3-methoxyphenyl)ethyl]-4-octylsulfonyl-piperazin-2-yl]acetamide Formula: C30H43N7O4S MolecularWeight: 597.77192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(C(C1)(CC(=O)N)C2=CC(=NC=N2)N3C=CN=C3)C(C)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(C(C1)(CC(=O)N)C2=CC(=NC=N2)N3C=CN=C3)C(C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C30H43N7O4S/c1-4-5-6-7-8-9-17-42(39,40)36-15-16-37(24(2)25-11-10-12-26(18-25)41-3)30(21-36,20-28(31)38)27-19-29(34-22-33-27)35-14-13-32-23-35/h10-14,18-19,22-24H,4-9,15-17,20-21H2,1-3H3,(H2,31,38)