3-[3-bromanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-2-(4-methylphenyl)sulfonyl-propanenitrile

Systemtic Name: 3-[3-bromanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-2-(4-methylphenyl)sulfonyl-propanenitrile Openeye Name: 3-[1-(benzenesulfonyl)-3-bromo-pyrrolo[2,3-b]pyridin-2-yl]-2-(p-tolylsulfonyl)propanenitrile CAS Name: 3-[1-(benzenesulfonyl)-3-bromo-2-pyrrolo[2,3-b]pyridinyl]-2-(4-methylphenyl)sulfonylpropanenitrile IUPAC Name: 3-[1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridin-2-yl]-2-(4-methylphenyl)sulfonylpropanenitrile Traditional Name: 3-(1-besyl-3-bromo-pyrrolo[2,3-b]pyridin-2-yl)-2-tosyl-propionitrile Formula: C23H18BrN3O4S2 MolecularWeight: 544.44072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=C(C3=C(N2S(=O)(=O)C4=CC=CC=C4)N=CC=C3)Br)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=C(C3=C(N2S(=O)(=O)C4=CC=CC=C4)N=CC=C3)Br)C#N

InChI

InChI=1S/C23H18BrN3O4S2/c1-16-9-11-17(12-10-16)32(28,29)19(15-25)14-21-22(24)20-8-5-13-26-23(20)27(21)33(30,31)18-6-3-2-4-7-18/h2-13,19H,14H2,1H3