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

Systemtic Name: 4-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]benzenesulfonamide Openeye Name: 4-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]benzenesulfonamide CAS Name: 4-cyano-N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]benzenesulfonamide Traditional Name: 4-cyano-N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]benzenesulfonamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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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=C(C=C5)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O3S/c25-13-17-3-5-21(6-4-17)33(31,32)28-24-11-18-8-19(12-24)10-23(9-18,16-24)27-15-22(30)29-7-1-2-20(29)14-26/h3-6,18-20,27-28H,1-2,7-12,15-16H2/t18?,19?,20-,23?,24?/m0/s1