4-chloranyl-2-[[2-(furan-2-yl)-2-oxidanylidene-ethyl]amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-[[2-(furan-2-yl)-2-oxidanylidene-ethyl]amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-[[2-(2-furyl)-2-oxo-ethyl]amino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-[[2-(2-furanyl)-2-oxoethyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-[[2-(furan-2-yl)-2-oxoethyl]amino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-[[2-(2-furyl)-2-keto-ethyl]amino]-5-sulfamoyl-benzoic acid Formula: C13H11ClN2O6S MolecularWeight: 358.75424

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=COC(=C1)C(=O)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H11ClN2O6S/c14-8-5-9(16-6-10(17)11-2-1-3-22-11)7(13(18)19)4-12(8)23(15,20)21/h1-5,16H,6H2,(H,18,19)(H2,15,20,21)