N-(3-fluoranyl-4-methyl-phenyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate CAS Name: N-(3-fluoro-4-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Formula: C21H17FN3O5S- MolecularWeight: 442.440183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NC3=CC(=C(C=C3)C)F)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NC3=CC(=C(C=C3)C)F)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18FN3O5S/c1-13-3-7-17(11-19(13)22)23-21(26)15-5-8-16(9-6-15)24-31(29,30)18-10-4-14(2)20(12-18)25(27)28/h3-12,24H,1-2H3,(H,23,26)/p-1