15-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl methanesulfonate

Systemtic Name: 15-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl methanesulfonate Openeye Name: 15-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl methanesulfonate CAS Name: methanesulfonic acid 15-[[[6-(4-butyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]pentadecyl ester IUPAC Name: 15-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl methanesulfonate Traditional Name: methanesulfonic acid 15-[[6-(4-butylpiperazino)nicotinoyl]amino]pentadecyl ester Formula: C30H54N4O4S MolecularWeight: 566.83916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54N4O4S/c1-3-4-21-33-22-24-34(25-23-33)29-19-18-28(27-32-29)30(35)31-20-16-14-12-10-8-6-5-7-9-11-13-15-17-26-38-39(2,36)37/h18-19,27H,3-17,20-26H2,1-2H3,(H,31,35)