2-(4-chloranylphenoxy)-1-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)ethanone Traditional Name: 2-(4-chlorophenoxy)-1-(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)ethanone Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)Cl)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)Cl)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22ClN3O4S/c1-13-18(27(24,25)21-10-4-3-5-11-21)14(2)22(20-13)17(23)12-26-16-8-6-15(19)7-9-16/h6-9H,3-5,10-12H2,1-2H3