N-[4-(1-benzothiophen-2-yl)-5-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-2-methyl-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[4-(1-benzothiophen-2-yl)-5-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-2-methyl-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[4-(benzothiophen-2-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-methyl-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[4-(1-benzothiophen-2-yl)-5-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-2-methyl-3-pyrazolyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[4-(1-benzothiophen-2-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-methylpyrazol-3-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[4-(benzothiophen-2-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-methyl-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Formula: C28H28BrN5O4S2 MolecularWeight: 642.58702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2C)OCCOC3=NC=C(C=N3)Br)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2C)OCCOC3=NC=C(C=N3)Br)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H28BrN5O4S2/c1-28(2,3)19-9-11-21(12-10-19)40(35,36)33-25-24(23-15-18-7-5-6-8-22(18)39-23)26(32-34(25)4)37-13-14-38-27-30-16-20(29)17-31-27/h5-12,15-17,33H,13-14H2,1-4H3