2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-chloro-4-fluoro-N-mesyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C20H23ClFN3O6S2 MolecularWeight: 519.994523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CN(C3=CC(=C(C=C3)F)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CN(C3=CC(=C(C=C3)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClFN3O6S2/c1-31-19-8-6-15(33(29,30)24-9-3-4-10-24)12-18(19)23-20(26)13-25(32(2,27)28)14-5-7-17(22)16(21)11-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,23,26)