N-[3-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-3-fluoranyl-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-3-fluoranyl-4-methyl-benzenesulfonamide Openeye Name: N-[3-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-3-fluoro-4-methyl-benzenesulfonamide CAS Name: N-[3-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide IUPAC Name: N-[3-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide Traditional Name: N-[3-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-3-fluoro-4-methyl-benzenesulfonamide Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)F

InChI

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