18-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]octadecyl methanesulfonate

Systemtic Name: 18-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]octadecyl methanesulfonate Openeye Name: 18-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]octadecyl methanesulfonate CAS Name: methanesulfonic acid 18-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]octadecyl ester IUPAC Name: 18-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]octadecyl methanesulfonate Traditional Name: methanesulfonic acid 18-[(6-piperazinonicotinoyl)amino]octadecyl ester Formula: C29H52N4O4S MolecularWeight: 552.81258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52N4O4S/c1-38(35,36)37-25-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-20-31-29(34)27-18-19-28(32-26-27)33-23-21-30-22-24-33/h18-19,26,30H,2-17,20-25H2,1H3,(H,31,34)