[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-phenyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S)-2-phenyl-1-tosyl-3-pyrroline-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H35NO4S MolecularWeight: 481.6468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CCN(C2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CCN([C@H]2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)C(C)C

InChI

InChI=1S/C28H35NO4S/c1-19(2)24-15-12-21(4)18-26(24)33-28(30)25-16-17-29(27(25)22-8-6-5-7-9-22)34(31,32)23-13-10-20(3)11-14-23/h5-11,13-14,16,19,21,24,26-27H,12,15,17-18H2,1-4H3/t21-,24+,26-,27+/m1/s1