N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)OC

InChI

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