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

Systemtic Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]-4-phenyl-benzenesulfonamide Openeye Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]-4-phenyl-benzenesulfonamide CAS Name: N-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]-4-phenylbenzenesulfonamide IUPAC Name: N-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]-4-phenylbenzenesulfonamide Traditional Name: N-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]-4-phenyl-benzenesulfonamide Formula: C29H34N4O3S MolecularWeight: 518.67026

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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)C6=CC=CC=C6)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NS(=O)(=O)C5=CC=C(C=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C29H34N4O3S/c30-18-25-7-4-12-33(25)27(34)19-31-28-14-21-13-22(15-28)17-29(16-21,20-28)32-37(35,36)26-10-8-24(9-11-26)23-5-2-1-3-6-23/h1-3,5-6,8-11,21-22,25,31-32H,4,7,12-17,19-20H2/t21?,22?,25-,28?,29?/m0/s1