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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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