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

Systemtic Name: N-[3-(1,3-benzodioxol-4-ylmethoxy)-5-bromanyl-pyrazin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-4-ylmethoxy)-5-bromo-pyrazin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-4-ylmethoxy)-5-bromo-2-pyrazinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-4-ylmethoxy)-5-bromopyrazin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzodioxol-4-ylmethoxy)-5-bromo-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=C4C(=CC=C3)OCO4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=C4C(=CC=C3)OCO4)Br

InChI

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