12-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]dodecyl 4-methylbenzenesulfonate

Systemtic Name: 12-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]dodecyl 4-methylbenzenesulfonate Openeye Name: 12-[[6-(4-isopropylpiperazin-1-yl)pyridine-3-carbonyl]amino]dodecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 12-[[oxo-[6-(4-propan-2-yl-1-piperazinyl)-3-pyridinyl]methyl]amino]dodecyl ester IUPAC Name: 12-[[6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]dodecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 12-[[6-(4-isopropylpiperazino)nicotinoyl]amino]dodecyl ester Formula: C32H50N4O4S MolecularWeight: 586.8288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N4O4S/c1-27(2)35-21-23-36(24-22-35)31-19-16-29(26-34-31)32(37)33-20-12-10-8-6-4-5-7-9-11-13-25-40-41(38,39)30-17-14-28(3)15-18-30/h14-19,26-27H,4-13,20-25H2,1-3H3,(H,33,37)