14-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl methanesulfonate

Systemtic Name: 14-[[6-(4-propylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl methanesulfonate Openeye Name: 14-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl methanesulfonate CAS Name: methanesulfonic acid 14-[[oxo-[6-(4-propyl-1-piperazinyl)-3-pyridinyl]methyl]amino]tetradecyl ester IUPAC Name: 14-[[6-(4-propylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl methanesulfonate Traditional Name: methanesulfonic acid 14-[[6-(4-propylpiperazino)nicotinoyl]amino]tetradecyl ester Formula: C28H50N4O4S MolecularWeight: 538.786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C28H50N4O4S/c1-3-19-31-20-22-32(23-21-31)27-17-16-26(25-30-27)28(33)29-18-14-12-10-8-6-4-5-7-9-11-13-15-24-36-37(2,34)35/h16-17,25H,3-15,18-24H2,1-2H3,(H,29,33)