17-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]heptadecyl methanesulfonate

Systemtic Name: 17-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]heptadecyl methanesulfonate Openeye Name: 17-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]heptadecyl methanesulfonate CAS Name: methanesulfonic acid 17-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]heptadecyl ester IUPAC Name: 17-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]heptadecyl methanesulfonate Traditional Name: methanesulfonic acid 17-[(6-piperazinonicotinoyl)amino]heptadecyl ester Formula: C28H50N4O4S MolecularWeight: 538.786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50N4O4S/c1-37(34,35)36-24-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-30-28(33)26-17-18-27(31-25-26)32-22-20-29-21-23-32/h17-18,25,29H,2-16,19-24H2,1H3,(H,30,33)