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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-2-methyl-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-methyl-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-2-methyl-3-pyrazolyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-methylpyrazol-3-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-methyl-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Formula: C27H28BrN5O6S MolecularWeight: 630.51012

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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=C(C=C4)OCO5

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=C(C=C4)OCO5

InChI

InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-6-8-20(9-7-18)40(34,35)32-24-23(17-5-10-21-22(13-17)39-16-38-21)25(31-33(24)4)36-11-12-37-26-29-14-19(28)15-30-26/h5-10,13-15,32H,11-12,16H2,1-4H3