3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonylmethyl]-7-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonylmethyl]-7-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfonylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-7-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)sulfonylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C21H21ClFN3O4S MolecularWeight: 465.925543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CS(=O)(=O)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CS(=O)(=O)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H21ClFN3O4S/c22-15-4-3-5-16(23)14(15)11-31(29,30)12-19-20(27)25-18-10-13(6-7-17(18)24-19)21(28)26-8-1-2-9-26/h3-7,10,19,24H,1-2,8-9,11-12H2,(H,25,27)