16-[3-aminocarbonyl-6-(4-ethylpiperazin-1-yl)pyridin-2-yl]hexadecyl methanesulfonate

Systemtic Name: 16-[3-aminocarbonyl-6-(4-ethylpiperazin-1-yl)pyridin-2-yl]hexadecyl methanesulfonate Openeye Name: 16-[3-carbamoyl-6-(4-ethylpiperazin-1-yl)-2-pyridyl]hexadecyl methanesulfonate CAS Name: methanesulfonic acid 16-[3-carbamoyl-6-(4-ethyl-1-piperazinyl)-2-pyridinyl]hexadecyl ester IUPAC Name: 16-[3-carbamoyl-6-(4-ethylpiperazin-1-yl)pyridin-2-yl]hexadecyl methanesulfonate Traditional Name: methanesulfonic acid 16-[3-carbamoyl-6-(4-ethylpiperazino)-2-pyridyl]hexadecyl ester Formula: C29H52N4O4S MolecularWeight: 552.81258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C=C2)C(=O)N)CCCCCCCCCCCCCCCCOS(=O)(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C=C2)C(=O)N)CCCCCCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C29H52N4O4S/c1-3-32-21-23-33(24-22-32)28-20-19-26(29(30)34)27(31-28)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-25-37-38(2,35)36/h19-20H,3-18,21-25H2,1-2H3,(H2,30,34)