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

Systemtic Name: 2-[4-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(3-amino-3-oxo-propyl)sulfonylethoxy]phenyl]acetic acid CAS Name: 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethoxy]phenyl]acetic acid IUPAC Name: 2-[4-[2-(3-amino-3-oxopropyl)sulfonylethoxy]phenyl]acetic acid Traditional Name: 2-[4-[2-(3-amino-3-keto-propyl)sulfonylethoxy]phenyl]acetic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S/c14-12(15)5-7-21(18,19)8-6-20-11-3-1-10(2-4-11)9-13(16)17/h1-4H,5-9H2,(H2,14,15)(H,16,17)