6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

Systemtic Name: 6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Openeye Name: 6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]sulfonyl-3-methyl-1,3-benzoxazol-2-one CAS Name: 6-[3-[4-(2-fluorophenyl)-1-piperazinyl]-3-oxopropyl]sulfonyl-3-methyl-1,3-benzoxazol-2-one IUPAC Name: 6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Traditional Name: 6-[3-[4-(2-fluorophenyl)piperazino]-3-keto-propyl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4F)OC1=O

InChI

InChI=1S/C21H22FN3O5S/c1-23-18-7-6-15(14-19(18)30-21(23)27)31(28,29)13-8-20(26)25-11-9-24(10-12-25)17-5-3-2-4-16(17)22/h2-7,14H,8-13H2,1H3