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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-(5-bromanylpyrimidin-2-yl)oxyethoxymethyl]-1H-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxymethyl]-1H-pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxymethyl]-1H-pyrazol-3-yl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxymethyl]-1H-pyrazol-3-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-5-[2-(5-bromopyrimidin-2-yl)oxyethoxymethyl]-1H-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=NNC(=C2C3=CC4=C(C=C3)OCO4)COCCOC5=NC=C(C=N5)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NNC(=C2C3=CC4=C(C=C3)OCO4)COCCOC5=NC=C(C=N5)Br

InChI

InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-5-7-20(8-6-18)40(34,35)33-25-24(17-4-9-22-23(12-17)39-16-38-22)21(31-32-25)15-36-10-11-37-26-29-13-19(28)14-30-26/h4-9,12-14H,10-11,15-16H2,1-3H3,(H2,31,32,33)