3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-thiophen-3-yl-benzoic acid

Systemtic Name: 3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-thiophen-3-yl-benzoic acid Openeye Name: 3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-(3-thienyl)benzoic acid CAS Name: 3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-(3-thiophenyl)benzoic acid IUPAC Name: 3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-thiophen-3-ylbenzoic acid Traditional Name: 3-[(3-fluorobenzyl)amino]-5-sulfamoyl-4-(3-thienyl)benzoic acid Formula: C18H15FN2O4S2 MolecularWeight: 406.451103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CSC=C3

Isomeric SMILES

C1=CC(=CC(=C1)F)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CSC=C3

InChI

InChI=1S/C18H15FN2O4S2/c19-14-3-1-2-11(6-14)9-21-15-7-13(18(22)23)8-16(27(20,24)25)17(15)12-4-5-26-10-12/h1-8,10,21H,9H2,(H,22,23)(H2,20,24,25)