1-(phenylmethyl)-4-(trifluoromethylsulfamoyl)indole-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-4-(trifluoromethylsulfamoyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-4-(trifluoromethylsulfamoyl)indole-2-carboxylic acid CAS Name: 1-(phenylmethyl)-4-(trifluoromethylsulfamoyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-4-(trifluoromethylsulfamoyl)indole-2-carboxylic acid Traditional Name: 1-benzyl-4-(trifluoromethylsulfamoyl)indole-2-carboxylic acid Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C2C(=O)O)C(=CC=C3)S(=O)(=O)NC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C2C(=O)O)C(=CC=C3)S(=O)(=O)NC(F)(F)F

InChI

InChI=1S/C17H13F3N2O4S/c18-17(19,20)21-27(25,26)15-8-4-7-13-12(15)9-14(16(23)24)22(13)10-11-5-2-1-3-6-11/h1-9,21H,10H2,(H,23,24)