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

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]dodecan-1-one Openeye Name: 1-[1-(p-tolylsulfonyl)pyrrol-3-yl]dodecan-1-one CAS Name: 1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-1-dodecanone IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]dodecan-1-one Traditional Name: 1-(1-tosylpyrrol-3-yl)dodecan-1-one Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO3S/c1-3-4-5-6-7-8-9-10-11-12-23(25)21-17-18-24(19-21)28(26,27)22-15-13-20(2)14-16-22/h13-19H,3-12H2,1-2H3