4-[2-azanyl-3-(furan-2-yl)-3-oxidanylidene-propyl]benzenesulfonic acid

Systemtic Name: 4-[2-azanyl-3-(furan-2-yl)-3-oxidanylidene-propyl]benzenesulfonic acid Openeye Name: 4-[2-amino-3-(2-furyl)-3-oxo-propyl]benzenesulfonic acid CAS Name: 4-[2-amino-3-(2-furanyl)-3-oxopropyl]benzenesulfonic acid IUPAC Name: 4-[2-amino-3-(furan-2-yl)-3-oxopropyl]benzenesulfonic acid Traditional Name: 4-[2-amino-3-(2-furyl)-3-keto-propyl]besylic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)C(CC2=CC=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

C1=COC(=C1)C(=O)C(CC2=CC=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C13H13NO5S/c14-11(13(15)12-2-1-7-19-12)8-9-3-5-10(6-4-9)20(16,17)18/h1-7,11H,8,14H2,(H,16,17,18)