14-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]tetradecyl methanesulfonate

Systemtic Name: 14-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]tetradecyl methanesulfonate Openeye Name: 14-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]tetradecyl methanesulfonate CAS Name: methanesulfonic acid 14-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]tetradecyl ester IUPAC Name: 14-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]tetradecyl methanesulfonate Traditional Name: methanesulfonic acid 14-[(6-piperazinonicotinoyl)amino]tetradecyl ester Formula: C25H44N4O4S MolecularWeight: 496.70626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44N4O4S/c1-34(31,32)33-21-13-11-9-7-5-3-2-4-6-8-10-12-16-27-25(30)23-14-15-24(28-22-23)29-19-17-26-18-20-29/h14-15,22,26H,2-13,16-21H2,1H3,(H,27,30)