1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-N-(2,6-dimethoxy-3-pyridyl)-N-methylsulfonyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-N-(2,6-dimethoxy-3-pyridyl)-5-keto-N-mesyl-pyrrolidine-3-carboxamide Formula: C20H21ClFN3O6S MolecularWeight: 485.913643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)N(C(=O)C2CC(=O)N(C2)CC3=CC(=C(C=C3)F)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=C(C=C1)N(C(=O)C2CC(=O)N(C2)CC3=CC(=C(C=C3)F)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C20H21ClFN3O6S/c1-30-17-7-6-16(19(23-17)31-2)25(32(3,28)29)20(27)13-9-18(26)24(11-13)10-12-4-5-15(22)14(21)8-12/h4-8,13H,9-11H2,1-3H3