3-[(E)-but-2-enyl]-2-hexyl-4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

Systemtic Name: 3-[(E)-but-2-enyl]-2-hexyl-4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole Openeye Name: 3-[(E)-but-2-enyl]-2-hexyl-4-methyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole CAS Name: 3-[(E)-but-2-enyl]-2-hexyl-4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole IUPAC Name: 3-[(E)-but-2-enyl]-2-hexyl-4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole Traditional Name: 3-[(E)-but-2-enyl]-2-hexyl-4-methyl-1-tosyl-3-pyrroline Formula: C22H33NO2S MolecularWeight: 375.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=C(CN1S(=O)(=O)C2=CC=C(C=C2)C)C)CC=CC

Isomeric SMILES

CCCCCCC1C(=C(CN1S(=O)(=O)C2=CC=C(C=C2)C)C)C/C=C/C

InChI

InChI=1S/C22H33NO2S/c1-5-7-9-10-12-22-21(11-8-6-2)19(4)17-23(22)26(24,25)20-15-13-18(3)14-16-20/h6,8,13-16,22H,5,7,9-12,17H2,1-4H3/b8-6+