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

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octadecan-1-one Openeye Name: 1-[1-(p-tolylsulfonyl)pyrrol-3-yl]octadecan-1-one CAS Name: 1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-1-octadecanone IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octadecan-1-one Traditional Name: 1-(1-tosylpyrrol-3-yl)octadecan-1-one Formula: C29H45NO3S MolecularWeight: 487.7375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(31)27-23-24-30(25-27)34(32,33)28-21-19-26(2)20-22-28/h19-25H,3-18H2,1-2H3