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

Systemtic Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]-4-mesyl-benzenesulfonamide Formula: C24H32N4O5S2 MolecularWeight: 520.66468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O5S2/c1-34(30,31)20-4-6-21(7-5-20)35(32,33)27-24-12-17-9-18(13-24)11-23(10-17,16-24)26-15-22(29)28-8-2-3-19(28)14-25/h4-7,17-19,26-27H,2-3,8-13,15-16H2,1H3/t17?,18?,19-,23?,24?/m0/s1