N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methoxy-benzenesulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-4-methoxy-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methoxybenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-4-methoxy-benzenesulfonamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)OC)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-13-3-5-14(6-4-13)11-22-12-17(19)18(20-22)21-26(23,24)16-9-7-15(25-2)8-10-16/h3-10,12H,11H2,1-2H3,(H,20,21)