3-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-4-fluoranyl-benzenesulfonamide Openeye Name: 3-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]-4-fluoro-benzenesulfonamide CAS Name: 3-cyano-N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]-4-fluorobenzenesulfonamide IUPAC Name: 3-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]-4-fluorobenzenesulfonamide Traditional Name: 3-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]-4-fluoro-benzenesulfonamide Formula: C24H28FN5O3S MolecularWeight: 485.574223

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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(=C(C=C5)F)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H28FN5O3S/c25-21-4-3-20(7-18(21)12-26)34(32,33)29-24-10-16-6-17(11-24)9-23(8-16,15-24)28-14-22(31)30-5-1-2-19(30)13-27/h3-4,7,16-17,19,28-29H,1-2,5-6,8-11,14-15H2/t16?,17?,19-,23?,24?/m0/s1