[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-(4-methylphenyl)sulfinylnaphthalene-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-(4-methylphenyl)sulfinylnaphthalene-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 1-(p-tolylsulfinyl)naphthalene-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfinyl-2-naphthalenecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-(4-methylphenyl)sulfinylnaphthalene-2-carboxylate Traditional Name: 1-(p-tolylsulfinyl)naphthalene-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H32O3S MolecularWeight: 448.61688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)S(=O)C4=CC=C(C=C4)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)S(=O)C4=CC=C(C=C4)C)C(C)C

InChI

InChI=1S/C28H32O3S/c1-18(2)23-15-11-20(4)17-26(23)31-28(29)25-16-12-21-7-5-6-8-24(21)27(25)32(30)22-13-9-19(3)10-14-22/h5-10,12-14,16,18,20,23,26H,11,15,17H2,1-4H3/t20-,23+,26-,32?/m1/s1