1-[4-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]pentane-1,4-dione

Systemtic Name: 1-[4-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]pentane-1,4-dione Openeye Name: 1-[4-ethyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrol-3-yl]pentane-1,4-dione CAS Name: 1-[4-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]pentane-1,4-dione IUPAC Name: 1-[4-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]pentane-1,4-dione Traditional Name: 1-(4-ethyl-1-tosyl-3-pyrrolin-3-yl)pentane-1,4-dione Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)CCC(=O)C

Isomeric SMILES

CCC1=C(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)CCC(=O)C

InChI

InChI=1S/C18H23NO4S/c1-4-15-11-19(12-17(15)18(21)10-7-14(3)20)24(22,23)16-8-5-13(2)6-9-16/h5-6,8-9H,4,7,10-12H2,1-3H3