1-[1-(4-methylphenyl)sulfonyl-2-(2-nitrophenyl)-2,5-dihydropyrrol-3-yl]propan-1-one

Systemtic Name: 1-[1-(4-methylphenyl)sulfonyl-2-(2-nitrophenyl)-2,5-dihydropyrrol-3-yl]propan-1-one Openeye Name: 1-[2-(2-nitrophenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrol-3-yl]propan-1-one CAS Name: 1-[1-(4-methylphenyl)sulfonyl-2-(2-nitrophenyl)-2,5-dihydropyrrol-3-yl]-1-propanone IUPAC Name: 1-[1-(4-methylphenyl)sulfonyl-2-(2-nitrophenyl)-2,5-dihydropyrrol-3-yl]propan-1-one Traditional Name: 1-[2-(2-nitrophenyl)-1-tosyl-3-pyrrolin-3-yl]propan-1-one Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CCN(C1C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)C1=CCN(C1C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N2O5S/c1-3-19(23)17-12-13-21(28(26,27)15-10-8-14(2)9-11-15)20(17)16-6-4-5-7-18(16)22(24)25/h4-12,20H,3,13H2,1-2H3