14-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl methanesulfonate

Systemtic Name: 14-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl methanesulfonate Openeye Name: 14-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl methanesulfonate CAS Name: methanesulfonic acid 14-[[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]tetradecyl ester IUPAC Name: 14-[[6-(4-ethylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl methanesulfonate Traditional Name: methanesulfonic acid 14-[[6-(4-ethylpiperazino)nicotinoyl]amino]tetradecyl ester Formula: C27H48N4O4S MolecularWeight: 524.75942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48N4O4S/c1-3-30-19-21-31(22-20-30)26-17-16-25(24-29-26)27(32)28-18-14-12-10-8-6-4-5-7-9-11-13-15-23-35-36(2,33)34/h16-17,24H,3-15,18-23H2,1-2H3,(H,28,32)