14-[2-[(4-methylpiperazin-1-yl)carbamoyl]pyridin-4-yl]tetradecyl methanesulfonate

Systemtic Name: 14-[2-[(4-methylpiperazin-1-yl)carbamoyl]pyridin-4-yl]tetradecyl methanesulfonate Openeye Name: 14-[2-[(4-methylpiperazin-1-yl)carbamoyl]-4-pyridyl]tetradecyl methanesulfonate CAS Name: methanesulfonic acid 14-[2-[[(4-methyl-1-piperazinyl)amino]-oxomethyl]-4-pyridinyl]tetradecyl ester IUPAC Name: 14-[2-[(4-methylpiperazin-1-yl)carbamoyl]pyridin-4-yl]tetradecyl methanesulfonate Traditional Name: methanesulfonic acid 14-[2-[(4-methylpiperazino)carbamoyl]-4-pyridyl]tetradecyl ester Formula: C26H46N4O4S MolecularWeight: 510.73284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)C2=NC=CC(=C2)CCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)NC(=O)C2=NC=CC(=C2)CCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C26H46N4O4S/c1-29-18-20-30(21-19-29)28-26(31)25-23-24(16-17-27-25)15-13-11-9-7-5-3-4-6-8-10-12-14-22-34-35(2,32)33/h16-17,23H,3-15,18-22H2,1-2H3,(H,28,31)