tert-butyl 4-[5-bromanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-[5-bromanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)-5-bromo-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate CAS Name: 4-[1-(benzenesulfonyl)-5-bromo-3-pyrrolo[2,3-b]pyridinyl]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate Traditional Name: 4-(1-besyl-5-bromo-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C21H19BrN4O4S MolecularWeight: 503.36896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C=N1)C2=CN(C3=NC=C(C=C23)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C=N1)C2=CN(C3=NC=C(C=C23)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19BrN4O4S/c1-21(2,3)30-20(27)25-12-14(10-24-25)18-13-26(19-17(18)9-15(22)11-23-19)31(28,29)16-7-5-4-6-8-16/h4-13H,1-3H3