N-[1-(1-adamantyl)ethyl]-2-fluoranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-fluoranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-fluoro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-fluoro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide Formula: C26H30FN3O6S MolecularWeight: 531.596303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])OC)F

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])OC)F

InChI

InChI=1S/C26H30FN3O6S/c1-15(26-12-16-7-17(13-26)9-18(8-16)14-26)28-25(31)21-11-20(4-5-22(21)27)37(34,35)29-23-10-19(30(32)33)3-6-24(23)36-2/h3-6,10-11,15-18,29H,7-9,12-14H2,1-2H3,(H,28,31)