methyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate Openeye Name: methyl 1-(p-tolylsulfonyl)-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2-pyrrolo[3,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate Traditional Name: 1-tosyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylic acid methyl ester Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C2C(=O)OC)N=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C2C(=O)OC)N=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O4S/c1-10-3-5-11(6-4-10)27(24,25)22-13-7-8-15(17(18,19)20)21-12(13)9-14(22)16(23)26-2/h3-9H,1-2H3