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

Systemtic Name: N-[[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]methyl]-3-chloranyl-4-fluoranyl-benzenesulfonamide Openeye Name: N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]-3-chloro-4-fluoro-benzenesulfonamide CAS Name: N-[[4-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]phenyl]methyl]-3-chloro-4-fluorobenzenesulfonamide IUPAC Name: N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]-3-chloro-4-fluorobenzenesulfonamide Traditional Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]benzyl]-3-chloro-4-fluoro-benzenesulfonamide Formula: C25H27ClFN3O4S MolecularWeight: 520.015983

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)CNS(=O)(=O)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)CNS(=O)(=O)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C25H27ClFN3O4S/c26-21-10-20(5-6-22(21)27)35(33,34)28-14-15-1-3-19(4-2-15)23(31)29-30-24(32)25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18,28H,7-9,11-14H2,(H,29,31)(H,30,32)