[5-(2,1,3-benzothiadiazol-5-ylmethoxy)-2-fluoranyl-phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate

Systemtic Name: [5-(2,1,3-benzothiadiazol-5-ylmethoxy)-2-fluoranyl-phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate Openeye Name: [5-(2,1,3-benzothiadiazol-5-ylmethoxy)-2-fluoro-phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate CAS Name: 2,6-dimethyl-1-piperazinecarboxylic acid [5-(2,1,3-benzothiadiazol-5-ylmethoxy)-2-fluorophenyl]methyl ester IUPAC Name: [5-(2,1,3-benzothiadiazol-5-ylmethoxy)-2-fluorophenyl]methyl 2,6-dimethylpiperazine-1-carboxylate Traditional Name: 2,6-dimethylpiperazine-1-carboxylic acid [2-fluoro-5-(piazthiol-5-ylmethoxy)benzyl] ester Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC(N1C(=O)OCC2=C(C=CC(=C2)OCC3=CC4=NSN=C4C=C3)F)C

Isomeric SMILES

CC1CNCC(N1C(=O)OCC2=C(C=CC(=C2)OCC3=CC4=NSN=C4C=C3)F)C

InChI

InChI=1S/C21H23FN4O3S/c1-13-9-23-10-14(2)26(13)21(27)29-12-16-8-17(4-5-18(16)22)28-11-15-3-6-19-20(7-15)25-30-24-19/h3-8,13-14,23H,9-12H2,1-2H3