1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octan-1-one

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octan-1-one Openeye Name: 1-[1-(p-tolylsulfonyl)pyrrol-3-yl]octan-1-one CAS Name: 1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-1-octanone IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octan-1-one Traditional Name: 1-(1-tosylpyrrol-3-yl)octan-1-one Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3S/c1-3-4-5-6-7-8-19(21)17-13-14-20(15-17)24(22,23)18-11-9-16(2)10-12-18/h9-15H,3-8H2,1-2H3