ethyl 1-(4-methylphenyl)sulfonyl-7-(trifluoromethylsulfonyloxy)pyrrolo[3,2-c]pyridine-6-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-7-(trifluoromethylsulfonyloxy)pyrrolo[3,2-c]pyridine-6-carboxylate Openeye Name: ethyl 1-(p-tolylsulfonyl)-7-(trifluoromethylsulfonyloxy)pyrrolo[3,2-c]pyridine-6-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-7-(trifluoromethylsulfonyloxy)-6-pyrrolo[3,2-c]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-7-(trifluoromethylsulfonyloxy)pyrrolo[3,2-c]pyridine-6-carboxylate Traditional Name: 1-tosyl-7-triflyloxy-pyrrolo[3,2-c]pyridine-6-carboxylic acid ethyl ester Formula: C18H15F3N2O7S2 MolecularWeight: 492.44611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C=CN(C2=C1OS(=O)(=O)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NC=C2C=CN(C2=C1OS(=O)(=O)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H15F3N2O7S2/c1-3-29-17(24)14-16(30-32(27,28)18(19,20)21)15-12(10-22-14)8-9-23(15)31(25,26)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3