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

Systemtic Name: [(1S,2S)-2-naphthalen-2-ylsulfonylcyclohexyl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [(1S,2S)-2-(2-naphthylsulfonyl)cyclohexyl] (2S)-2-(4-isobutylphenyl)propanoate CAS Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid [(1S,2S)-2-(2-naphthalenylsulfonyl)cyclohexyl] ester IUPAC Name: [(1S,2S)-2-naphthalen-2-ylsulfonylcyclohexyl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: (2S)-2-(4-isobutylphenyl)propionic acid [(1S,2S)-2-(2-naphthylsulfonyl)cyclohexyl] ester Formula: C29H34O4S MolecularWeight: 478.64286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34O4S/c1-20(2)18-22-12-14-23(15-13-22)21(3)29(30)33-27-10-6-7-11-28(27)34(31,32)26-17-16-24-8-4-5-9-25(24)19-26/h4-5,8-9,12-17,19-21,27-28H,6-7,10-11,18H2,1-3H3/t21-,27-,28-/m0/s1