18-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate

Systemtic Name: 18-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate Openeye Name: 18-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate CAS Name: methanesulfonic acid 18-[[oxo-[6-(4-propyl-1-piperazinyl)-3-pyridinyl]methyl]amino]octadecyl ester IUPAC Name: 18-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate Traditional Name: methanesulfonic acid 18-[[6-(4-propylpiperazino)nicotinoyl]amino]octadecyl ester Formula: C32H58N4O4S MolecularWeight: 594.89232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

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