4-bromanyl-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide Openeye Name: 4-bromo-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[2-(1-phenyl-4-pyrazolyl)ethyl]benzenesulfonamide IUPAC Name: 4-bromo-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide Traditional Name: 4-bromo-3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C18H18BrN3O2S/c1-14-11-17(7-8-18(14)19)25(23,24)21-10-9-15-12-20-22(13-15)16-5-3-2-4-6-16/h2-8,11-13,21H,9-10H2,1H3