15-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl 4-methylbenzenesulfonate

Systemtic Name: 15-[[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl 4-methylbenzenesulfonate Openeye Name: 15-[[6-(4-isopropylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 15-[[oxo-[6-(4-propan-2-yl-1-piperazinyl)-3-pyridinyl]methyl]amino]pentadecyl ester IUPAC Name: 15-[[6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 15-[[6-(4-isopropylpiperazino)nicotinoyl]amino]pentadecyl ester Formula: C35H56N4O4S MolecularWeight: 628.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N4O4S/c1-30(2)38-24-26-39(27-25-38)34-22-19-32(29-37-34)35(40)36-23-15-13-11-9-7-5-4-6-8-10-12-14-16-28-43-44(41,42)33-20-17-31(3)18-21-33/h17-22,29-30H,4-16,23-28H2,1-3H3,(H,36,40)