5-bromanyl-2-(4-methoxyphenyl)-3-(4-methylsulfonylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 5-bromanyl-2-(4-methoxyphenyl)-3-(4-methylsulfonylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine Openeye Name: 5-bromo-2-(4-methoxyphenyl)-3-(4-methylsulfonylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine CAS Name: 5-bromo-2-(4-methoxyphenyl)-3-(4-methylsulfonyl-1-piperazinyl)-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 5-bromo-2-(4-methoxyphenyl)-3-(4-methylsulfonylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine Traditional Name: 5-bromo-3-(4-mesylpiperazino)-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine Formula: C19H21BrN4O3S MolecularWeight: 465.36404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)Br)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)Br)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C19H21BrN4O3S/c1-27-15-5-3-13(4-6-15)17-18(16-11-14(20)12-21-19(16)22-17)23-7-9-24(10-8-23)28(2,25)26/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)