tert-butyl (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: tert-butyl (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: tert-butyl (2S)-2-cyclohexyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S)-2-cyclohexyl-1-tosyl-3-pyrroline-3-carboxylic acid tert-butyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3CCCCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C([C@@H]2C3CCCCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31NO4S/c1-16-10-12-18(13-11-16)28(25,26)23-15-14-19(21(24)27-22(2,3)4)20(23)17-8-6-5-7-9-17/h10-14,17,20H,5-9,15H2,1-4H3/t20-/m0/s1