2-azanyl-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-3-(1,3-thiazol-2-yl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-3-(1,3-thiazol-2-yl)benzoic acid Openeye Name: 2-amino-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-3-thiazol-2-yl-benzoic acid CAS Name: 2-amino-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-3-(2-thiazolyl)benzoic acid IUPAC Name: 2-amino-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-3-(1,3-thiazol-2-yl)benzoic acid Traditional Name: 2-amino-4-(4-fluorophenyl)-5-(2-mesylphenyl)-3-thiazol-2-yl-benzoic acid Formula: C23H17FN2O4S2 MolecularWeight: 468.520483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C(=C2C3=CC=C(C=C3)F)C4=NC=CS4)N)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C(=C2C3=CC=C(C=C3)F)C4=NC=CS4)N)C(=O)O

InChI

InChI=1S/C23H17FN2O4S2/c1-32(29,30)18-5-3-2-4-15(18)16-12-17(23(27)28)21(25)20(22-26-10-11-31-22)19(16)13-6-8-14(24)9-7-13/h2-12H,25H2,1H3,(H,27,28)