2-[3-[3-[2,6-bis(oxidanylidene)cyclohexyl]carbonyl-2-chloranyl-6-ethylsulfonyl-phenyl]-1,2-oxazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-[3-[2,6-bis(oxidanylidene)cyclohexyl]carbonyl-2-chloranyl-6-ethylsulfonyl-phenyl]-1,2-oxazol-5-yl]ethanenitrile Openeye Name: 2-[3-[2-chloro-3-(2,6-dioxocyclohexanecarbonyl)-6-ethylsulfonyl-phenyl]isoxazol-5-yl]acetonitrile CAS Name: 2-[3-[2-chloro-3-[(2,6-dioxocyclohexyl)-oxomethyl]-6-ethylsulfonylphenyl]-5-isoxazolyl]acetonitrile IUPAC Name: 2-[3-[2-chloro-3-(2,6-dioxocyclohexanecarbonyl)-6-ethylsulfonylphenyl]-1,2-oxazol-5-yl]acetonitrile Traditional Name: 2-[3-[2-chloro-3-(2,6-diketocyclohexanecarbonyl)-6-esyl-phenyl]isoxazol-5-yl]acetonitrile Formula: C20H17ClN2O6S MolecularWeight: 448.87678

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)C3=NOC(=C3)CC#N

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)C3=NOC(=C3)CC#N

InChI

InChI=1S/C20H17ClN2O6S/c1-2-30(27,28)16-7-6-12(20(26)18-14(24)4-3-5-15(18)25)19(21)17(16)13-10-11(8-9-22)29-23-13/h6-7,10,18H,2-5,8H2,1H3