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

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-chloro-4-fluoro-N-mesyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C19H21ClFN3O5S2 MolecularWeight: 489.968543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3O5S2/c1-30(26,27)24(15-6-9-18(21)17(20)12-15)13-19(25)22-14-4-7-16(8-5-14)31(28,29)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,25)