N-[3-(1,3-benzodioxol-5-ylmethoxy)-5-bromanyl-pyrazin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethoxy)-5-bromanyl-pyrazin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethoxy)-5-bromo-pyrazin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethoxy)-5-bromo-2-pyrazinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethoxy)-5-bromopyrazin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-(5-bromo-3-piperonyloxy-pyrazin-2-yl)-4-methyl-benzenesulfonamide Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C19H16BrN3O5S/c1-12-2-5-14(6-3-12)29(24,25)23-18-19(22-17(20)9-21-18)26-10-13-4-7-15-16(8-13)28-11-27-15/h2-9H,10-11H2,1H3,(H,21,23)