4-(1-adamantyl)-N-[2,3,4-tris(fluoranyl)phenyl]benzenesulfonamide

Systemtic Name: 4-(1-adamantyl)-N-[2,3,4-tris(fluoranyl)phenyl]benzenesulfonamide Openeye Name: 4-(1-adamantyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide CAS Name: 4-(1-adamantyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide IUPAC Name: 4-(1-adamantyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide Traditional Name: 4-(1-adamantyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide Formula: C22H22F3NO2S MolecularWeight: 421.47579

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=C(C=C5)F)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=C(C=C5)F)F)F

InChI

InChI=1S/C22H22F3NO2S/c23-18-5-6-19(21(25)20(18)24)26-29(27,28)17-3-1-16(2-4-17)22-10-13-7-14(11-22)9-15(8-13)12-22/h1-6,13-15,26H,7-12H2