12-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]dodecyl methanesulfonate

Systemtic Name: 12-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]dodecyl methanesulfonate Openeye Name: 12-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]dodecyl methanesulfonate CAS Name: methanesulfonic acid 12-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]dodecyl ester IUPAC Name: 12-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]dodecyl methanesulfonate Traditional Name: methanesulfonic acid 12-[[6-(4-ethylpiperazino)nicotinoyl]amino]dodecyl ester Formula: C25H44N4O4S MolecularWeight: 496.70626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44N4O4S/c1-3-28-17-19-29(20-18-28)24-15-14-23(22-27-24)25(30)26-16-12-10-8-6-4-5-7-9-11-13-21-33-34(2,31)32/h14-15,22H,3-13,16-21H2,1-2H3,(H,26,30)