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

Systemtic Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]pyridine-2-sulfonamide Openeye Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]pyridine-2-sulfonamide CAS Name: N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]-2-pyridinesulfonamide IUPAC Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]pyridine-2-sulfonamide Traditional Name: N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]pyridine-2-sulfonamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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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=N5)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NS(=O)(=O)C5=CC=CC=N5)C#N

InChI

InChI=1S/C22H29N5O3S/c23-13-18-4-3-7-27(18)20(28)14-25-21-9-16-8-17(10-21)12-22(11-16,15-21)26-31(29,30)19-5-1-2-6-24-19/h1-2,5-6,16-18,25-26H,3-4,7-12,14-15H2/t16?,17?,18-,21?,22?/m0/s1