2-(2-fluorophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitro-benzamide

Systemtic Name: 2-(2-fluorophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitro-benzamide Openeye Name: 2-(2-fluorophenyl)sulfanyl-N-[(6-morpholino-3-pyridyl)methyl]-5-nitro-benzamide CAS Name: 2-[(2-fluorophenyl)thio]-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(2-fluorophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitrobenzamide Traditional Name: 2-[(2-fluorophenyl)thio]-N-[(6-morpholino-3-pyridyl)methyl]-5-nitro-benzamide Formula: C23H21FN4O4S MolecularWeight: 468.500643

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

InChI

InChI=1S/C23H21FN4O4S/c24-19-3-1-2-4-21(19)33-20-7-6-17(28(30)31)13-18(20)23(29)26-15-16-5-8-22(25-14-16)27-9-11-32-12-10-27/h1-8,13-14H,9-12,15H2,(H,26,29)