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

Systemtic Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]pyrrolidine-1-sulfonamide Openeye Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]pyrrolidine-1-sulfonamide CAS Name: N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]-1-pyrrolidinesulfonamide IUPAC Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]pyrrolidine-1-sulfonamide Traditional Name: N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]pyrrolidine-1-sulfonamide Formula: C21H33N5O3S MolecularWeight: 435.58342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)(C3)NCC(=O)N5CCCC5C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)(C3)NCC(=O)N5CCC[C@H]5C#N

InChI

InChI=1S/C21H33N5O3S/c22-13-18-4-3-7-26(18)19(27)14-23-20-9-16-8-17(10-20)12-21(11-16,15-20)24-30(28,29)25-5-1-2-6-25/h16-18,23-24H,1-12,14-15H2/t16?,17?,18-,20?,21?/m0/s1