N-(5-bromanyl-3-phenylmethoxy-pyrazin-2-yl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(5-bromanyl-3-phenylmethoxy-pyrazin-2-yl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(3-benzyloxy-5-bromo-pyrazin-2-yl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(5-bromo-3-phenylmethoxy-2-pyrazinyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(3-benzoxy-5-bromo-pyrazin-2-yl)-4-methyl-3-nitro-benzenesulfonamide Formula: C18H15BrN4O5S MolecularWeight: 479.3045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=CC=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=CC=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN4O5S/c1-12-7-8-14(9-15(12)23(24)25)29(26,27)22-17-18(21-16(19)10-20-17)28-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22)