N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]-3-fluoro-benzenesulfonamide CAS Name: N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]-3-fluorobenzenesulfonamide Traditional Name: N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]-3-fluoro-benzenesulfonamide Formula: C23H29FN4O3S MolecularWeight: 460.564763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NS(=O)(=O)C5=CC=CC(=C5)F)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NS(=O)(=O)C5=CC=CC(=C5)F)C#N

InChI

InChI=1S/C23H29FN4O3S/c24-18-3-1-5-20(8-18)32(30,31)27-23-11-16-7-17(12-23)10-22(9-16,15-23)26-14-21(29)28-6-2-4-19(28)13-25/h1,3,5,8,16-17,19,26-27H,2,4,6-7,9-12,14-15H2/t16?,17?,19-,22?,23?/m0/s1