N-(5-bromanyl-3-methoxy-pyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide

Systemtic Name: N-(5-bromanyl-3-methoxy-pyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide Openeye Name: N-(5-bromo-3-methoxy-pyrazin-2-yl)-2-(4-isobutylphenyl)benzenesulfonamide CAS Name: N-(5-bromo-3-methoxy-2-pyrazinyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide IUPAC Name: N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide Traditional Name: N-(5-bromo-3-methoxy-pyrazin-2-yl)-2-(4-isobutylphenyl)benzenesulfonamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC3=NC=C(N=C3OC)Br

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC3=NC=C(N=C3OC)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-14(2)12-15-8-10-16(11-9-15)17-6-4-5-7-18(17)29(26,27)25-20-21(28-3)24-19(22)13-23-20/h4-11,13-14H,12H2,1-3H3,(H,23,25)