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18-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate

18-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate

Systemtic Name:18-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate
Openeye Name:18-[[6-(4-isopropylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate
CAS Name:methanesulfonic acid 18-[[oxo-[6-(4-propan-2-yl-1-piperazinyl)-3-pyridinyl]methyl]amino]octadecyl ester
IUPAC Name:18-[[6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate
Traditional Name:methanesulfonic acid 18-[[6-(4-isopropylpiperazino)nicotinoyl]amino]octadecyl ester
Formula: C32H58N4O4S
MolecularWeight: 594.89232
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C


Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C


InChI

InChI=1S/C32H58N4O4S/c1-29(2)35-23-25-36(26-24-35)31-21-20-30(28-34-31)32(37)33-22-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-27-40-41(3,38)39/h20-21,28-29H,4-19,22-27H2,1-3H3,(H,33,37)


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