14-[[6-(4-butan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl methanesulfonate

Systemtic Name: 14-[[6-(4-butan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl methanesulfonate Openeye Name: 14-[[6-(4-sec-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl methanesulfonate CAS Name: methanesulfonic acid 14-[[[6-(4-butan-2-yl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]tetradecyl ester IUPAC Name: 14-[[6-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl methanesulfonate Traditional Name: methanesulfonic acid 14-[[6-(4-sec-butylpiperazino)nicotinoyl]amino]tetradecyl ester Formula: C29H52N4O4S MolecularWeight: 552.81258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CCC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C29H52N4O4S/c1-4-26(2)32-20-22-33(23-21-32)28-18-17-27(25-31-28)29(34)30-19-15-13-11-9-7-5-6-8-10-12-14-16-24-37-38(3,35)36/h17-18,25-26H,4-16,19-24H2,1-3H3,(H,30,34)