(2S)-N-[(4-fluorophenyl)methyl]-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: (2S)-N-[(4-fluorophenyl)methyl]-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide Openeye Name: (2S)-N-[(4-fluorophenyl)methyl]-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide CAS Name: (2S)-N-[(4-fluorophenyl)methyl]-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide IUPAC Name: (2S)-N-[(4-fluorophenyl)methyl]-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide Traditional Name: (2S)-N-(4-fluorobenzyl)-1-mesyl-3-pyrroline-2-carboxamide Formula: C13H15FN2O3S MolecularWeight: 298.333203

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N1CC=C[C@H]1C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H15FN2O3S/c1-20(18,19)16-8-2-3-12(16)13(17)15-9-10-4-6-11(14)7-5-10/h2-7,12H,8-9H2,1H3,(H,15,17)/t12-/m0/s1