N-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(2-fluorobenzyl)pyrazol-3-yl]-3,4-dimethyl-benzenesulfonamide Formula: C18H17BrFN3O2S MolecularWeight: 438.313883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3F)C

InChI

InChI=1S/C18H17BrFN3O2S/c1-12-7-8-15(9-13(12)2)26(24,25)22-18-16(19)11-23(21-18)10-14-5-3-4-6-17(14)20/h3-9,11H,10H2,1-2H3,(H,21,22)