17-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl 4-methylbenzenesulfonate

Systemtic Name: 17-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl 4-methylbenzenesulfonate Openeye Name: 17-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 17-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 17-[[6-(4-methylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C35H56N4O4S MolecularWeight: 628.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N4O4S/c1-31-18-21-33(22-19-31)44(41,42)43-29-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-36-35(40)32-20-23-34(37-30-32)39-27-25-38(2)26-28-39/h18-23,30H,3-17,24-29H2,1-2H3,(H,36,40)