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

Systemtic Name: 16-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate Openeye Name: 16-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate CAS Name: methanesulfonic acid 16-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]hexadecyl ester IUPAC Name: 16-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate Traditional Name: methanesulfonic acid 16-[[6-(4-ethylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C29H52N4O4S MolecularWeight: 552.81258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

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