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

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-4-nitro-butan-1-one Openeye Name: 4-nitro-1-[1-(p-tolylsulfonyl)pyrrol-3-yl]butan-1-one CAS Name: 1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-4-nitro-1-butanone IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-4-nitrobutan-1-one Traditional Name: 4-nitro-1-(1-tosylpyrrol-3-yl)butan-1-one Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCC[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCC[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O5S/c1-12-4-6-14(7-5-12)23(21,22)16-10-8-13(11-16)15(18)3-2-9-17(19)20/h4-8,10-11H,2-3,9H2,1H3