N-(2,5-dimethoxyphenyl)-2-[2-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[2-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[[2-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxoethyl]sulfanylacetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[[2-keto-2-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]ethyl]thio]acetamide Formula: C23H27N3O7S2 MolecularWeight: 521.60638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSCC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSCC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C23H27N3O7S2/c1-32-16-9-10-19(33-2)18(13-16)24-21(27)14-34-15-22(28)25-11-6-12-26(25)23(29)17-7-4-5-8-20(17)35(3,30)31/h4-5,7-10,13H,6,11-12,14-15H2,1-3H3,(H,24,27)