5-[(1-adamantylcarbonylamino)carbamoyl]-N,N-diethyl-2-fluoranyl-benzenesulfonamide

Systemtic Name: 5-[(1-adamantylcarbonylamino)carbamoyl]-N,N-diethyl-2-fluoranyl-benzenesulfonamide Openeye Name: 5-[(adamantane-1-carbonylamino)carbamoyl]-N,N-diethyl-2-fluoro-benzenesulfonamide CAS Name: 5-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]-N,N-diethyl-2-fluorobenzenesulfonamide IUPAC Name: 5-[(adamantane-1-carbonylamino)carbamoyl]-N,N-diethyl-2-fluorobenzenesulfonamide Traditional Name: 5-[(adamantane-1-carbonylamino)carbamoyl]-N,N-diethyl-2-fluoro-benzenesulfonamide Formula: C22H30FN3O4S MolecularWeight: 451.554703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)F

InChI

InChI=1S/C22H30FN3O4S/c1-3-26(4-2)31(29,30)19-10-17(5-6-18(19)23)20(27)24-25-21(28)22-11-14-7-15(12-22)9-16(8-14)13-22/h5-6,10,14-16H,3-4,7-9,11-13H2,1-2H3,(H,24,27)(H,25,28)