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

Systemtic Name: tert-butyl (2S)-1-(4-methylphenyl)sulfonyl-2-pentyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: tert-butyl (2S)-2-pentyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pentyl-2,5-dihydropyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-(4-methylphenyl)sulfonyl-2-pentyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S)-2-amyl-1-tosyl-3-pyrroline-3-carboxylic acid tert-butyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC[C@H]1C(=CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO4S/c1-6-7-8-9-19-18(20(23)26-21(3,4)5)14-15-22(19)27(24,25)17-12-10-16(2)11-13-17/h10-14,19H,6-9,15H2,1-5H3/t19-/m0/s1