3-heptyl-1-(4-methylphenyl)sulfonyl-pyrrole

Systemtic Name: 3-heptyl-1-(4-methylphenyl)sulfonyl-pyrrole Openeye Name: 3-heptyl-1-(p-tolylsulfonyl)pyrrole CAS Name: 3-heptyl-1-(4-methylphenyl)sulfonylpyrrole IUPAC Name: 3-heptyl-1-(4-methylphenyl)sulfonylpyrrole Traditional Name: 3-heptyl-1-tosyl-pyrrole Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H25NO2S/c1-3-4-5-6-7-8-17-13-14-19(15-17)22(20,21)18-11-9-16(2)10-12-18/h9-15H,3-8H2,1-2H3