4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-pyrrolidin-1-ylcarbonylphenyl)butanamide

Systemtic Name: 4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-pyrrolidin-1-ylcarbonylphenyl)butanamide Openeye Name: 4-(4-fluoro-N-methylsulfonyl-anilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide CAS Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]butanamide IUPAC Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide Traditional Name: 4-(4-fluoro-N-mesyl-anilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]butyramide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)N2CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)N2CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O4S/c1-31(29,30)26(18-12-10-17(23)11-13-18)16-6-9-21(27)24-20-8-3-2-7-19(20)22(28)25-14-4-5-15-25/h2-3,7-8,10-13H,4-6,9,14-16H2,1H3,(H,24,27)