16-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]hexadecyl methanesulfonate

Systemtic Name: 16-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]hexadecyl methanesulfonate Openeye Name: 16-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]hexadecyl methanesulfonate CAS Name: methanesulfonic acid 16-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]hexadecyl ester IUPAC Name: 16-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]hexadecyl methanesulfonate Traditional Name: methanesulfonic acid 16-[(6-piperazinonicotinoyl)amino]hexadecyl ester Formula: C27H48N4O4S MolecularWeight: 524.75942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCCCCCCCCCCCCNC(=O)C1=CN=C(C=C1)N2CCNCC2

Isomeric SMILES

CS(=O)(=O)OCCCCCCCCCCCCCCCCNC(=O)C1=CN=C(C=C1)N2CCNCC2

InChI

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