N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]benzenesulfonamide CAS Name: 4-acetyl-N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]benzenesulfonamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-17(30)20-4-6-22(7-5-20)34(32,33)28-25-12-18-9-19(13-25)11-24(10-18,16-25)27-15-23(31)29-8-2-3-21(29)14-26/h4-7,18-19,21,27-28H,2-3,8-13,15-16H2,1H3/t18?,19?,21-,24?,25?/m0/s1