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1-(phenylmethyl)-3-(trifluoromethylsulfonylamino)indole-2-carboxylic acid

1-(phenylmethyl)-3-(trifluoromethylsulfonylamino)indole-2-carboxylic acid

Systemtic Name:1-(phenylmethyl)-3-(trifluoromethylsulfonylamino)indole-2-carboxylic acid
Openeye Name:1-benzyl-3-(trifluoromethylsulfonylamino)indole-2-carboxylic acid
CAS Name:1-(phenylmethyl)-3-(trifluoromethylsulfonylamino)-2-indolecarboxylic acid
IUPAC Name:1-benzyl-3-(trifluoromethylsulfonylamino)indole-2-carboxylic acid
Traditional Name:1-benzyl-3-(triflylamino)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=CC=CC=C3C(=C2C(=O)O)NS(=O)(=O)C(F)(F)F


Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)NS(=O)(=O)C(F)(F)F


InChI

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


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