4-[4-(1-methylpiperidin-4-yl)but-1-ynyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

Systemtic Name: 4-[4-(1-methylpiperidin-4-yl)but-1-ynyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide Openeye Name: 4-[4-(1-methyl-4-piperidyl)but-1-ynyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide CAS Name: 4-[4-(1-methyl-4-piperidinyl)but-1-ynyl]-N-(1,3,5-trimethyl-4-pyrazolyl)benzenesulfonamide IUPAC Name: 4-[4-(1-methylpiperidin-4-yl)but-1-ynyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide Traditional Name: 4-[4-(1-methyl-4-piperidyl)but-1-ynyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide Formula: C22H30N4O2S MolecularWeight: 414.5642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=C(C=C2)C#CCCC3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=C(C=C2)C#CCCC3CCN(CC3)C

InChI

InChI=1S/C22H30N4O2S/c1-17-22(18(2)26(4)23-17)24-29(27,28)21-11-9-19(10-12-21)7-5-6-8-20-13-15-25(3)16-14-20/h9-12,20,24H,6,8,13-16H2,1-4H3