12-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]dodecyl methanesulfonate

Systemtic Name: 12-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]dodecyl methanesulfonate Openeye Name: 12-[[6-(4-isopropylpiperazin-1-yl)pyridine-3-carbonyl]amino]dodecyl methanesulfonate CAS Name: methanesulfonic acid 12-[[oxo-[6-(4-propan-2-yl-1-piperazinyl)-3-pyridinyl]methyl]amino]dodecyl ester IUPAC Name: 12-[[6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]dodecyl methanesulfonate Traditional Name: methanesulfonic acid 12-[[6-(4-isopropylpiperazino)nicotinoyl]amino]dodecyl ester Formula: C26H46N4O4S MolecularWeight: 510.73284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C26H46N4O4S/c1-23(2)29-17-19-30(20-18-29)25-15-14-24(22-28-25)26(31)27-16-12-10-8-6-4-5-7-9-11-13-21-34-35(3,32)33/h14-15,22-23H,4-13,16-21H2,1-3H3,(H,27,31)