2-fluoranyl-N-(2-methyl-3-nitro-phenyl)-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-fluoranyl-N-(2-methyl-3-nitro-phenyl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-fluoro-N-(2-methyl-3-nitro-phenyl)-5-morpholinosulfonyl-benzamide CAS Name: 2-fluoro-N-(2-methyl-3-nitrophenyl)-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-fluoro-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-fluoro-N-(2-methyl-3-nitro-phenyl)-5-morpholinosulfonyl-benzamide Formula: C18H18FN3O6S MolecularWeight: 423.415423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C18H18FN3O6S/c1-12-16(3-2-4-17(12)22(24)25)20-18(23)14-11-13(5-6-15(14)19)29(26,27)21-7-9-28-10-8-21/h2-6,11H,7-10H2,1H3,(H,20,23)