ethyl 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]thiazole-2-carboxylate CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]thiazole-2-carboxylic acid ethyl ester Formula: C17H20FN3O4S2 MolecularWeight: 413.486803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3O4S2/c1-2-25-17(22)16-19-14(12-26-16)11-20-7-9-21(10-8-20)27(23,24)15-5-3-13(18)4-6-15/h3-6,12H,2,7-11H2,1H3