4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]methyl]-3-fluoro-benzonitrile Formula: C17H19FN4O3S MolecularWeight: 378.421163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C17H19FN4O3S/c1-12-17(13(2)25-20-12)26(23,24)22-7-5-21(6-8-22)11-15-4-3-14(10-19)9-16(15)18/h3-4,9H,5-8,11H2,1-2H3