3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-thiophen-2-yl-benzoic acid

Systemtic Name: 3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-thiophen-2-yl-benzoic acid Openeye Name: 3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-(2-thienyl)benzoic acid CAS Name: 3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-thiophen-2-ylbenzoic acid IUPAC Name: 3-[(3-fluorophenyl)methylamino]-5-sulfamoyl-4-thiophen-2-ylbenzoic acid Traditional Name: 3-[(3-fluorobenzyl)amino]-5-sulfamoyl-4-(2-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=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)F)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CS3

InChI

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