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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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