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

Systemtic Name: tert-butyl (2S)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2,5-dihydropyrrole-3-carboxylate Openeye Name: tert-butyl (2S)-2-isobutyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2,5-dihydropyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S)-2-isobutyl-1-tosyl-3-pyrroline-3-carboxylic acid tert-butyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2CC(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4S/c1-14(2)13-18-17(19(22)25-20(4,5)6)11-12-21(18)26(23,24)16-9-7-15(3)8-10-16/h7-11,14,18H,12-13H2,1-6H3/t18-/m0/s1