4-oxidanylidene-4-[1-(phenylsulfonyl)pyrrol-3-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[1-(phenylsulfonyl)pyrrol-3-yl]butanoic acid Openeye Name: 4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-(benzenesulfonyl)-3-pyrrolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoic acid Traditional Name: 4-(1-besylpyrrol-3-yl)-4-keto-butyric acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C14H13NO5S/c16-13(6-7-14(17)18)11-8-9-15(10-11)21(19,20)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,18)