sodium 4-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-4-oxidanyl-butanoate

Systemtic Name: sodium 4-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-4-oxidanyl-butanoate Openeye Name: sodium 4-hydroxy-4-[1-(p-tolylsulfonyl)pyrrol-3-yl]butanoate CAS Name: sodium 4-hydroxy-4-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]butanoate IUPAC Name: sodium 4-hydroxy-4-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butanoate Traditional Name: sodium 4-hydroxy-4-(1-tosylpyrrol-3-yl)butyrate Formula: C15H16NNaO5S MolecularWeight: 345.34601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5S.Na/c1-11-2-4-13(5-3-11)22(20,21)16-9-8-12(10-16)14(17)6-7-15(18)19;/h2-5,8-10,14,17H,6-7H2,1H3,(H,18,19);/q;+1/p-1