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3-[(phenylmethyl)amino]-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid

3-[(phenylmethyl)amino]-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid

Systemtic Name:3-[(phenylmethyl)amino]-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid
Openeye Name:3-(benzylamino)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid
CAS Name:3-[(phenylmethyl)amino]-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid
IUPAC Name:3-(benzylamino)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid
Traditional Name:3-(benzylamino)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid
Formula: C21H17F3N2O5S
MolecularWeight: 466.43029
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC(=C3)C(F)(F)F


Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC(=C3)C(F)(F)F


InChI

InChI=1S/C21H17F3N2O5S/c22-21(23,24)15-7-4-8-16(11-15)31-19-17(26-12-13-5-2-1-3-6-13)9-14(20(27)28)10-18(19)32(25,29)30/h1-11,26H,12H2,(H,27,28)(H2,25,29,30)


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