17-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl 4-methylbenzenesulfonate

Systemtic Name: 17-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]heptadecyl 4-methylbenzenesulfonate Openeye Name: 17-[[6-(4-isopropylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 17-[[oxo-[6-(4-propan-2-yl-1-piperazinyl)-3-pyridinyl]methyl]amino]heptadecyl ester IUPAC Name: 17-[[6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]heptadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 17-[[6-(4-isopropylpiperazino)nicotinoyl]amino]heptadecyl ester Formula: C37H60N4O4S MolecularWeight: 656.9617

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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(C)C

Isomeric SMILES

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

InChI

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