2-[4-(3-azanyl-3-oxidanylidene-propyl)sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-(3-azanyl-3-oxidanylidene-propyl)sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-(3-amino-3-oxo-propyl)sulfonylphenyl]acetic acid CAS Name: 2-[4-(3-amino-3-oxopropyl)sulfonylphenyl]acetic acid IUPAC Name: 2-[4-(3-amino-3-oxopropyl)sulfonylphenyl]acetic acid Traditional Name: 2-[4-(3-amino-3-keto-propyl)sulfonylphenyl]acetic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CCC(=O)N

InChI

InChI=1S/C11H13NO5S/c12-10(13)5-6-18(16,17)9-3-1-8(2-4-9)7-11(14)15/h1-4H,5-7H2,(H2,12,13)(H,14,15)