16-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate

Systemtic Name: 16-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate Openeye Name: 16-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate CAS Name: methanesulfonic acid 16-[[[6-(4-butyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]hexadecyl ester IUPAC Name: 16-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate Traditional Name: methanesulfonic acid 16-[[6-(4-butylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C31H56N4O4S MolecularWeight: 580.86574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N4O4S/c1-3-4-22-34-23-25-35(26-24-34)30-20-19-29(28-33-30)31(36)32-21-17-15-13-11-9-7-5-6-8-10-12-14-16-18-27-39-40(2,37)38/h19-20,28H,3-18,21-27H2,1-2H3,(H,32,36)