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

Systemtic Name: [(1R,3R,4S)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] (2S)-2-cyano-2-phenyl-propanoate Openeye Name: [(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl] (2S)-2-cyano-2-phenyl-propanoate CAS Name: (2S)-2-cyano-2-phenylpropanoic 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-phenylpropanoate Traditional Name: (2S)-2-cyano-2-phenyl-propionic acid [(1S,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl] ester Formula: C32H46N2O4S MolecularWeight: 554.78364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)OC(=O)C(C)(C#N)C3=CC=CC=C3)CS(=O)(=O)N(C4CCCCC4)C5CCCCC5)C

Isomeric SMILES

CC1([C@@H]2CC[C@]1([C@@H](C2)OC(=O)[C@](C)(C#N)C3=CC=CC=C3)CS(=O)(=O)N(C4CCCCC4)C5CCCCC5)C

InChI

InChI=1S/C32H46N2O4S/c1-30(2)25-19-20-32(30,28(21-25)38-29(35)31(3,22-33)24-13-7-4-8-14-24)23-39(36,37)34(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4,7-8,13-14,25-28H,5-6,9-12,15-21,23H2,1-3H3/t25-,28-,31-,32-/m1/s1