N-[(4-fluorophenyl)methyl]-1-methyl-5-(phenylsulfonylamino)pyrrolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-methyl-5-(phenylsulfonylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: 5-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: 5-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-1-methyl-3-pyrrolo[2,3-b]pyridinecarboxamide IUPAC Name: 5-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: 5-(benzenesulfonamido)-N-(4-fluorobenzyl)-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C22H19FN4O3S MolecularWeight: 438.474663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC(=CN=C21)NS(=O)(=O)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C=C(C2=CC(=CN=C21)NS(=O)(=O)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN4O3S/c1-27-14-20(22(28)25-12-15-7-9-16(23)10-8-15)19-11-17(13-24-21(19)27)26-31(29,30)18-5-3-2-4-6-18/h2-11,13-14,26H,12H2,1H3,(H,25,28)