14-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl 4-methylbenzenesulfonate

Systemtic Name: 14-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]tetradecyl 4-methylbenzenesulfonate Openeye Name: 14-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 14-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]tetradecyl ester IUPAC Name: 14-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]tetradecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 14-[[6-(4-methylpiperazino)nicotinoyl]amino]tetradecyl ester Formula: C32H50N4O4S MolecularWeight: 586.8288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N4O4S/c1-28-15-18-30(19-16-28)41(38,39)40-26-14-12-10-8-6-4-3-5-7-9-11-13-21-33-32(37)29-17-20-31(34-27-29)36-24-22-35(2)23-25-36/h15-20,27H,3-14,21-26H2,1-2H3,(H,33,37)