5-bromanyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide Openeye Name: 5-bromo-N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide CAS Name: 5-bromo-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide Traditional Name: 5-bromo-N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiophene-2-sulfonamide Formula: C17H18BrN3O2S2 MolecularWeight: 440.37772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NS(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NS(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C17H18BrN3O2S2/c1-11-6-4-5-7-14(11)10-21-13(3)17(12(2)19-21)20-25(22,23)16-9-8-15(18)24-16/h4-9,20H,10H2,1-3H3