N-[2-(4-fluorophenyl)ethyl]-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzamide Formula: C21H18FN3O6S MolecularWeight: 459.447523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])F

InChI

InChI=1S/C21H18FN3O6S/c22-16-5-1-14(2-6-16)11-12-23-21(27)15-3-7-17(8-4-15)24-32(30,31)18-9-10-20(26)19(13-18)25(28)29/h1-10,13,24,26H,11-12H2,(H,23,27)