1-(4-methylphenyl)sulfonyl-2-octyl-pyrrole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-octyl-pyrrole Openeye Name: 2-octyl-1-(p-tolylsulfonyl)pyrrole CAS Name: 1-(4-methylphenyl)sulfonyl-2-octylpyrrole IUPAC Name: 1-(4-methylphenyl)sulfonyl-2-octylpyrrole Traditional Name: 2-octyl-1-tosyl-pyrrole Formula: C19H27NO2S MolecularWeight: 333.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCC1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H27NO2S/c1-3-4-5-6-7-8-10-18-11-9-16-20(18)23(21,22)19-14-12-17(2)13-15-19/h9,11-16H,3-8,10H2,1-2H3