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

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3,4-dimethyl-benzenesulfonamide Formula: C16H22BrN3O2S MolecularWeight: 400.33378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2C(=C(C(=N2)C)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2C(=C(C(=N2)C)Br)C)C

InChI

InChI=1S/C16H22BrN3O2S/c1-11-6-7-15(10-12(11)2)23(21,22)18-8-5-9-20-14(4)16(17)13(3)19-20/h6-7,10,18H,5,8-9H2,1-4H3