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

Systemtic Name: 18-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl methanesulfonate Openeye Name: 18-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate CAS Name: methanesulfonic acid 18-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]octadecyl ester IUPAC Name: 18-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl methanesulfonate Traditional Name: methanesulfonic acid 18-[[6-(4-ethylpiperazino)nicotinoyl]amino]octadecyl ester Formula: C31H56N4O4S MolecularWeight: 580.86574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N4O4S/c1-3-34-23-25-35(26-24-34)30-21-20-29(28-33-30)31(36)32-22-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-27-39-40(2,37)38/h20-21,28H,3-19,22-27H2,1-2H3,(H,32,36)