2-bromanyl-4,5-dimethoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-4,5-dimethoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 2-bromo-4,5-dimethoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 2-bromo-4,5-dimethoxy-N-[2-(1-pyrazolylmethyl)phenyl]benzenesulfonamide IUPAC Name: 2-bromo-4,5-dimethoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 2-bromo-4,5-dimethoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NC2=CC=CC=C2CN3C=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NC2=CC=CC=C2CN3C=CC=N3

InChI

InChI=1S/C18H18BrN3O4S/c1-25-16-10-14(19)18(11-17(16)26-2)27(23,24)21-15-7-4-3-6-13(15)12-22-9-5-8-20-22/h3-11,21H,12H2,1-2H3