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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

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