17-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl methanesulfonate

Systemtic Name: 17-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl methanesulfonate Openeye Name: 17-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl methanesulfonate CAS Name: methanesulfonic acid 17-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl methanesulfonate Traditional Name: methanesulfonic acid 17-[[6-(4-methylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C29H52N4O4S MolecularWeight: 552.81258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C29H52N4O4S/c1-32-21-23-33(24-22-32)28-19-18-27(26-31-28)29(34)30-20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25-37-38(2,35)36/h18-19,26H,3-17,20-25H2,1-2H3,(H,30,34)