[(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] (2S)-2-cyano-2-phenyl-pentanoate

Systemtic Name: [(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] (2S)-2-cyano-2-phenyl-pentanoate Openeye Name: [(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl] (2S)-2-cyano-2-phenyl-pentanoate CAS Name: (2S)-2-cyano-2-phenylpentanoic acid [(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] ester IUPAC Name: [(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] (2S)-2-cyano-2-phenylpentanoate Traditional Name: (2S)-2-cyano-2-phenyl-valeric acid [(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl] ester Formula: C34H50N2O4S MolecularWeight: 582.8368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C1=CC=CC=C1)C(=O)OC2CC3CCC2(C3(C)C)CS(=O)(=O)N(C4CCCCC4)C5CCCCC5

Isomeric SMILES

CCC[C@@](C#N)(C1=CC=CC=C1)C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS(=O)(=O)N(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C34H50N2O4S/c1-4-21-33(24-35,26-14-8-5-9-15-26)31(37)40-30-23-27-20-22-34(30,32(27,2)3)25-41(38,39)36(28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5,8-9,14-15,27-30H,4,6-7,10-13,16-23,25H2,1-3H3/t27-,30-,33-,34-/m1/s1