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

Systemtic Name: 2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-2-keto-ethoxy]benzonitrile Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C18H20N4O5S/c1-13-18(14(2)27-20-13)28(24,25)22-9-7-21(8-10-22)17(23)12-26-16-6-4-3-5-15(16)11-19/h3-6H,7-10,12H2,1-2H3