N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-methylsulfonyl-3-nitro-benzamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-mesyl-3-nitro-benzamide Formula: C16H15FN2O5S MolecularWeight: 366.364103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O5S/c1-10-3-4-11(7-13(10)17)9-18-16(20)12-5-6-15(25(2,23)24)14(8-12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)