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

Systemtic Name: N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-4-methoxy-benzenesulfonamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-12-18(19)13(2)22(20-12)15-6-4-14(5-7-15)21-26(23,24)17-10-8-16(25-3)9-11-17/h4-11,21H,1-3H3