N-[5-[(1-adamantylcarbonylamino)carbamoyl]-2-methyl-phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[5-[(1-adamantylcarbonylamino)carbamoyl]-2-methyl-phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[5-[(adamantane-1-carbonylamino)carbamoyl]-2-methyl-phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[5-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]-2-methylphenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[5-[(adamantane-1-carbonylamino)carbamoyl]-2-methylphenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[5-[(adamantane-1-carbonylamino)carbamoyl]-2-methyl-phenyl]-4-fluoro-benzenesulfonamide Formula: C25H28FN3O4S MolecularWeight: 485.570923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H28FN3O4S/c1-15-2-3-19(11-22(15)29-34(32,33)21-6-4-20(26)5-7-21)23(30)27-28-24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h2-7,11,16-18,29H,8-10,12-14H2,1H3,(H,27,30)(H,28,31)