ethyl 4-[[3-[(2-fluorophenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[(2-fluorophenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(2-fluorobenzyl)-2-keto-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3O6S/c1-2-30-20(26)23-9-11-24(12-10-23)32(28,29)16-7-8-18-19(13-16)31-21(27)25(18)14-15-5-3-4-6-17(15)22/h3-8,13H,2,9-12,14H2,1H3