18-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl 4-methylbenzenesulfonate

Systemtic Name: 18-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]octadecyl 4-methylbenzenesulfonate Openeye Name: 18-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 18-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]octadecyl ester IUPAC Name: 18-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]octadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 18-[[6-(4-methylpiperazino)nicotinoyl]amino]octadecyl ester Formula: C36H58N4O4S MolecularWeight: 642.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCCCCNC(=O)C2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCCCCNC(=O)C2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C36H58N4O4S/c1-32-19-22-34(23-20-32)45(42,43)44-30-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25-37-36(41)33-21-24-35(38-31-33)40-28-26-39(2)27-29-40/h19-24,31H,3-18,25-30H2,1-2H3,(H,37,41)