ethyl 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate CAS Name: 2-[6-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate Traditional Name: 2-[6-[4-(4-fluorophenyl)piperazino]sulfonyl-2-keto-1,3-benzoxazol-3-yl]acetic acid ethyl ester Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC1=O

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC1=O

InChI

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