(2S)-1-[3-[(4-fluorophenyl)methyl]-7-oxidanyl-6-oxidanylidene-pyrrolo[2,3-c][1,7]naphthyridin-1-yl]sulfonylpyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[3-[(4-fluorophenyl)methyl]-7-oxidanyl-6-oxidanylidene-pyrrolo[2,3-c][1,7]naphthyridin-1-yl]sulfonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-pyrrolo[2,3-c][1,7]naphthyridin-1-yl]sulfonylpyrrolidine-2-carboxamide CAS Name: (2S)-1-[[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-1-pyrrolo[2,3-c][1,7]naphthyridinyl]sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxopyrrolo[2,3-c][1,7]naphthyridin-1-yl]sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[3-(4-fluorobenzyl)-7-hydroxy-6-keto-pyrrolo[2,3-c][1,7]naphthyridin-1-yl]sulfonylpyrrolidine-2-carboxamide Formula: C22H20FN5O5S MolecularWeight: 485.488103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CN(C3=CN=C4C(=C32)C=CN(C4=O)O)CC5=CC=C(C=C5)F)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CN(C3=CN=C4C(=C32)C=CN(C4=O)O)CC5=CC=C(C=C5)F)C(=O)N

InChI

InChI=1S/C22H20FN5O5S/c23-14-5-3-13(4-6-14)11-26-12-18(34(32,33)28-8-1-2-16(28)21(24)29)19-15-7-9-27(31)22(30)20(15)25-10-17(19)26/h3-7,9-10,12,16,31H,1-2,8,11H2,(H2,24,29)/t16-/m0/s1