N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-5-methyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-5-methyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]-5-methyl-isoxazole-4-sulfonamide CAS Name: N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]-5-methyl-4-isoxazolesulfonamide IUPAC Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]-5-methyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]-5-methyl-isoxazole-4-sulfonamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NO1)S(=O)(=O)NC23CC4CC(C2)CC(C4)(C3)NCC(=O)N5CCCC5C#N

Isomeric SMILES

CC1=C(C=NO1)S(=O)(=O)NC23CC4CC(C2)CC(C4)(C3)NCC(=O)N5CCC[C@H]5C#N

InChI

InChI=1S/C21H29N5O4S/c1-14-18(11-24-30-14)31(28,29)25-21-8-15-5-16(9-21)7-20(6-15,13-21)23-12-19(27)26-4-2-3-17(26)10-22/h11,15-17,23,25H,2-9,12-13H2,1H3/t15?,16?,17-,20?,21?/m0/s1