ethyl 4-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoate

Systemtic Name: ethyl 4-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoate Openeye Name: ethyl 4-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoate CAS Name: 4-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoate Traditional Name: 4-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethylsulfamoyl]benzoic acid ethyl ester Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

InChI

InChI=1S/C20H27N5O5S/c1-3-29-20(26)16-4-6-17(7-5-16)31(27,28)23-8-13-30-19-14-18(21-15-22-19)25-11-9-24(2)10-12-25/h4-7,14-15,23H,3,8-13H2,1-2H3