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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-4-octylsulfonyl-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-octylsulfonylpiperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-octylsulfonyl-piperazin-2-yl]-N-piperonyl-acetamide Formula: C32H45N7O5S MolecularWeight: 639.8086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

InChI=1S/C32H45N7O5S/c1-4-5-6-7-8-9-16-45(41,42)38-14-15-39(30-19-27(24(2)3)35-32(36-30)37-13-12-33-22-37)26(21-38)18-31(40)34-20-25-10-11-28-29(17-25)44-23-43-28/h10-13,17,19,22,24,26H,4-9,14-16,18,20-21,23H2,1-3H3,(H,34,40)