S-[(1R,3R,4R)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] 3-tert-butylperoxy-3-phenyl-propanethioate

Systemtic Name: S-[(1R,3R,4R)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] 3-tert-butylperoxy-3-phenyl-propanethioate Openeye Name: S-[(1R,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl] 3-tert-butylperoxy-3-phenyl-propanethioate CAS Name: 3-tert-butyldioxy-3-phenylpropanethioic acid S-[(1R,3R,4R)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] ester IUPAC Name: S-[(1R,3R,4R)-4-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] 3-tert-butylperoxy-3-phenylpropanethioate Traditional Name: 3-tert-butylperoxy-3-phenyl-propanethioic acid S-[(1R,2R,4R)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-norbornan-2-yl] ester Formula: C35H55NO5S2 MolecularWeight: 633.9449

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)SC(=O)CC(C3=CC=CC=C3)OOC(C)(C)C)CS(=O)(=O)N(C4CCCCC4)C5CCCCC5)C

Isomeric SMILES

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

InChI

InChI=1S/C35H55NO5S2/c1-33(2,3)41-40-30(26-15-9-6-10-16-26)24-32(37)42-31-23-27-21-22-35(31,34(27,4)5)25-43(38,39)36(28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6,9-10,15-16,27-31H,7-8,11-14,17-25H2,1-5H3/t27-,30?,31-,35-/m1/s1