16-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl 4-methylbenzenesulfonate

Systemtic Name: 16-[[6-(4-butylpiperazin-1-yl)pyridin-3-yl]carbonylamino]hexadecyl 4-methylbenzenesulfonate Openeye Name: 16-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 16-[[[6-(4-butyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]hexadecyl ester IUPAC Name: 16-[[6-(4-butylpiperazin-1-yl)pyridine-3-carbonyl]amino]hexadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 16-[[6-(4-butylpiperazino)nicotinoyl]amino]hexadecyl ester Formula: C37H60N4O4S MolecularWeight: 656.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCCCCCCCCCCCCCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C37H60N4O4S/c1-3-4-26-40-27-29-41(30-28-40)36-24-21-34(32-39-36)37(42)38-25-17-15-13-11-9-7-5-6-8-10-12-14-16-18-31-45-46(43,44)35-22-19-33(2)20-23-35/h19-24,32H,3-18,25-31H2,1-2H3,(H,38,42)