17-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl methanesulfonate

Systemtic Name: 17-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl methanesulfonate Openeye Name: 17-[[6-(4-isopropylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl methanesulfonate CAS Name: methanesulfonic acid 17-[[oxo-[6-(4-propan-2-yl-1-piperazinyl)-3-pyridinyl]methyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl methanesulfonate Traditional Name: methanesulfonic acid 17-[[6-(4-isopropylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C31H56N4O4S MolecularWeight: 580.86574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N4O4S/c1-28(2)34-22-24-35(25-23-34)30-20-19-29(27-33-30)31(36)32-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26-39-40(3,37)38/h19-20,27-28H,4-18,21-26H2,1-3H3,(H,32,36)