1-(phenylmethyl)-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid Openeye Name: 1-benzyl-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid CAS Name: 1-(phenylmethyl)-5-(trifluoromethylsulfonylamino)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid Traditional Name: 1-benzyl-5-(triflylamino)indole-2-carboxylic acid Formula: C17H13F3N2O4S MolecularWeight: 398.35633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)NS(=O)(=O)C(F)(F)F)C=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)NS(=O)(=O)C(F)(F)F)C=C2C(=O)O

InChI

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