methyl 2-fluoranyl-6-[3-fluoranyl-4-[[[2-[2-(4-pyridin-4-ylpiperazin-1-yl)ethylsulfamoylmethyl]cyclopropyl]carbonylamino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-fluoranyl-6-[3-fluoranyl-4-[[[2-[2-(4-pyridin-4-ylpiperazin-1-yl)ethylsulfamoylmethyl]cyclopropyl]carbonylamino]methyl]phenyl]benzoate Openeye Name: methyl 2-fluoro-6-[3-fluoro-4-[[[2-[2-[4-(4-pyridyl)piperazin-1-yl]ethylsulfamoylmethyl]cyclopropanecarbonyl]amino]methyl]phenyl]benzoate CAS Name: 2-fluoro-6-[3-fluoro-4-[[[oxo-[2-[2-(4-pyridin-4-yl-1-piperazinyl)ethylsulfamoylmethyl]cyclopropyl]methyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-6-[3-fluoro-4-[[[2-[2-(4-pyridin-4-ylpiperazin-1-yl)ethylsulfamoylmethyl]cyclopropanecarbonyl]amino]methyl]phenyl]benzoate Traditional Name: 2-fluoro-6-[3-fluoro-4-[[[2-[2-[4-(4-pyridyl)piperazino]ethylsulfamoylmethyl]cyclopropanecarbonyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C31H35F2N5O5S MolecularWeight: 627.701906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)C3CC3CS(=O)(=O)NCCN4CCN(CC4)C5=CC=NC=C5)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)C3CC3CS(=O)(=O)NCCN4CCN(CC4)C5=CC=NC=C5)F

InChI

InChI=1S/C31H35F2N5O5S/c1-43-31(40)29-25(3-2-4-27(29)32)21-5-6-22(28(33)18-21)19-35-30(39)26-17-23(26)20-44(41,42)36-11-12-37-13-15-38(16-14-37)24-7-9-34-10-8-24/h2-10,18,23,26,36H,11-17,19-20H2,1H3,(H,35,39)