N-(1-adamantyl)-3-(fluoranylmethyl)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Systemtic Name: N-(1-adamantyl)-3-(fluoranylmethyl)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: N-(1-adamantyl)-3-(fluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: N-(1-adamantyl)-3-(fluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: N-(1-adamantyl)-3-(fluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: N-(1-adamantyl)-3-(fluoromethyl)-1-keto-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C20H25FN2O3S MolecularWeight: 392.487503

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC5=C(CC(NC5=O)CF)C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC5=C(CC(NC5=O)CF)C=C4

InChI

InChI=1S/C20H25FN2O3S/c21-11-16-6-15-1-2-17(7-18(15)19(24)22-16)27(25,26)23-20-8-12-3-13(9-20)5-14(4-12)10-20/h1-2,7,12-14,16,23H,3-6,8-11H2,(H,22,24)