2-(1-ethyl-2-methyl-pyrrol-3-yl)sulfonylethanoic acid

Systemtic Name: 2-(1-ethyl-2-methyl-pyrrol-3-yl)sulfonylethanoic acid Openeye Name: 2-(1-ethyl-2-methyl-pyrrol-3-yl)sulfonylacetic acid CAS Name: 2-[(1-ethyl-2-methyl-3-pyrrolyl)sulfonyl]acetic acid IUPAC Name: 2-(1-ethyl-2-methylpyrrol-3-yl)sulfonylacetic acid Traditional Name: 2-(1-ethyl-2-methyl-pyrrol-3-yl)sulfonylacetic acid Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C1C)S(=O)(=O)CC(=O)O

Isomeric SMILES

CCN1C=CC(=C1C)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C9H13NO4S/c1-3-10-5-4-8(7(10)2)15(13,14)6-9(11)12/h4-5H,3,6H2,1-2H3,(H,11,12)