4-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[1-(p-tolylsulfonyl)pyrrol-2-yl]butanoic acid CAS Name: 4-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-(1-tosylpyrrol-2-yl)butyric acid Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(=O)CCC(=O)O

InChI

InChI=1S/C15H15NO5S/c1-11-4-6-12(7-5-11)22(20,21)16-10-2-3-13(16)14(17)8-9-15(18)19/h2-7,10H,8-9H2,1H3,(H,18,19)