4-chloranyl-2-[(4-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-[(4-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-[(4-fluorobenzoyl)-(2-furylmethyl)amino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-[[(4-fluorophenyl)-oxomethyl]-(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-[(4-fluorobenzoyl)-(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-[(4-fluorobenzoyl)-(2-furfuryl)amino]-5-sulfamoyl-benzoic acid Formula: C19H14ClFN2O6S MolecularWeight: 452.840663

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(C2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=COC(=C1)CN(C2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H14ClFN2O6S/c20-15-9-16(14(19(25)26)8-17(15)30(22,27)28)23(10-13-2-1-7-29-13)18(24)11-3-5-12(21)6-4-11/h1-9H,10H2,(H,25,26)(H2,22,27,28)