N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC)C)Br

InChI

InChI=1S/C19H20BrN3O4S/c1-12-19(20)13(2)23(21-12)15-7-5-14(6-8-15)22-28(24,25)18-11-16(26-3)9-10-17(18)27-4/h5-11,22H,1-4H3