5-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]pyridine-2-sulfonamide

Systemtic Name: 5-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]pyridine-2-sulfonamide Openeye Name: 5-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]pyridine-2-sulfonamide CAS Name: 5-cyano-N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]-2-pyridinesulfonamide IUPAC Name: 5-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]pyridine-2-sulfonamide Traditional Name: 5-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]pyridine-2-sulfonamide Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O3S/c24-11-16-3-4-20(26-13-16)33(31,32)28-23-9-17-6-18(10-23)8-22(7-17,15-23)27-14-21(30)29-5-1-2-19(29)12-25/h3-4,13,17-19,27-28H,1-2,5-10,14-15H2/t17?,18?,19-,22?,23?/m0/s1