[(1S,2S)-2-naphthalen-2-ylsulfonylcyclohexyl] 2-[4-(2-methylpropyl)phenyl]ethanoate

Systemtic Name: [(1S,2S)-2-naphthalen-2-ylsulfonylcyclohexyl] 2-[4-(2-methylpropyl)phenyl]ethanoate Openeye Name: [(1S,2S)-2-(2-naphthylsulfonyl)cyclohexyl] 2-(4-isobutylphenyl)acetate CAS Name: 2-[4-(2-methylpropyl)phenyl]acetic acid [(1S,2S)-2-(2-naphthalenylsulfonyl)cyclohexyl] ester IUPAC Name: [(1S,2S)-2-naphthalen-2-ylsulfonylcyclohexyl] 2-[4-(2-methylpropyl)phenyl]acetate Traditional Name: 2-(4-isobutylphenyl)acetic acid [(1S,2S)-2-(2-naphthylsulfonyl)cyclohexyl] ester Formula: C28H32O4S MolecularWeight: 464.61628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CC(=O)OC2CCCCC2S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CC(=O)O[C@H]2CCCC[C@@H]2S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H32O4S/c1-20(2)17-21-11-13-22(14-12-21)18-28(29)32-26-9-5-6-10-27(26)33(30,31)25-16-15-23-7-3-4-8-24(23)19-25/h3-4,7-8,11-16,19-20,26-27H,5-6,9-10,17-18H2,1-2H3/t26-,27-/m0/s1