15-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]pentadecyl methanesulfonate

Systemtic Name: 15-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]pentadecyl methanesulfonate Openeye Name: 15-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]pentadecyl methanesulfonate CAS Name: methanesulfonic acid 15-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]pentadecyl ester IUPAC Name: 15-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]pentadecyl methanesulfonate Traditional Name: methanesulfonic acid 15-[(6-piperazinonicotinoyl)amino]pentadecyl ester Formula: C26H46N4O4S MolecularWeight: 510.73284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46N4O4S/c1-35(32,33)34-22-14-12-10-8-6-4-2-3-5-7-9-11-13-17-28-26(31)24-15-16-25(29-23-24)30-20-18-27-19-21-30/h15-16,23,27H,2-14,17-22H2,1H3,(H,28,31)