tert-butyl 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-4-carboxylate

Systemtic Name: tert-butyl 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-4-carboxylate Openeye Name: tert-butyl 2-(5-methoxy-1H-indol-3-yl)-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine-4-carboxylate CAS Name: 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate Traditional Name: 2-(5-methoxy-1H-indol-3-yl)-1-tosyl-pyrrolo[2,3-b]pyridine-4-carboxylic acid tert-butyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)C(=O)OC(C)(C)C)C4=CNC5=C4C=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)C(=O)OC(C)(C)C)C4=CNC5=C4C=C(C=C5)OC

InChI

InChI=1S/C28H27N3O5S/c1-17-6-9-19(10-7-17)37(33,34)31-25(23-16-30-24-11-8-18(35-5)14-21(23)24)15-22-20(12-13-29-26(22)31)27(32)36-28(2,3)4/h6-16,30H,1-5H3