2-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-(2-amino-1-methyl-2-oxo-ethyl)sulfonylphenyl]acetic acid CAS Name: 2-[4-(1-amino-1-oxopropan-2-yl)sulfonylphenyl]acetic acid IUPAC Name: 2-[4-(1-amino-1-oxopropan-2-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[4-(2-amino-2-keto-1-methyl-ethyl)sulfonylphenyl]acetic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(C(=O)N)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C11H13NO5S/c1-7(11(12)15)18(16,17)9-4-2-8(3-5-9)6-10(13)14/h2-5,7H,6H2,1H3,(H2,12,15)(H,13,14)