1-(4-fluorophenyl)-4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]butan-1-one Formula: C22H23FN2O4S2 MolecularWeight: 462.557423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O4S2/c23-17-8-6-16(7-9-17)20(26)5-4-14-30-22-24-19-15-18(10-11-21(19)29-22)31(27,28)25-12-2-1-3-13-25/h6-11,15H,1-5,12-14H2