16-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate

Systemtic Name: 16-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]carbonylamino]hexadecyl methanesulfonate Openeye Name: 16-[[6-(4-isobutylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl methanesulfonate CAS Name: methanesulfonic acid 16-[[[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]-oxomethyl]amino]hexadecyl ester IUPAC Name: 16-[[6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carbonyl]amino]hexadecyl methanesulfonate Traditional Name: methanesulfonic acid 16-[[6-(4-isobutylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C31H56N4O4S MolecularWeight: 580.86574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N4O4S/c1-28(2)27-34-21-23-35(24-22-34)30-19-18-29(26-33-30)31(36)32-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-25-39-40(3,37)38/h18-19,26,28H,4-17,20-25,27H2,1-3H3,(H,32,36)