1-[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-1-pyrazolidinyl]-2-[(3,4-dimethoxyphenyl)thio]ethanone IUPAC Name: 1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidin-1-yl]-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=C(C=CC(=C3OC)Cl)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=C(C=CC(=C3OC)Cl)OC)OC

InChI

InChI=1S/C22H25ClN2O6S/c1-28-16-8-6-14(12-18(16)30-3)32-13-19(26)24-10-5-11-25(24)22(27)20-17(29-2)9-7-15(23)21(20)31-4/h6-9,12H,5,10-11,13H2,1-4H3