16-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate

Systemtic Name: 16-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate Openeye Name: 16-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate CAS Name: methanesulfonic acid 16-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]hexadecyl ester IUPAC Name: 16-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate Traditional Name: methanesulfonic acid 16-[[6-(4-methylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C28H50N4O4S MolecularWeight: 538.786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50N4O4S/c1-31-20-22-32(23-21-31)27-18-17-26(25-30-27)28(33)29-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-36-37(2,34)35/h17-18,25H,3-16,19-24H2,1-2H3,(H,29,33)