4-[5-azanyl-1-(2,2-dimethylpropyl)pyrazol-4-yl]-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide

Systemtic Name: 4-[5-azanyl-1-(2,2-dimethylpropyl)pyrazol-4-yl]-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide Openeye Name: 4-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide CAS Name: 4-[5-amino-1-(2,2-dimethylpropyl)-4-pyrazolyl]-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide IUPAC Name: 4-[5-amino-1-(2,2-dimethylpropyl)pyrazol-4-yl]-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide Traditional Name: 4-(5-amino-1-neopentyl-pyrazol-4-yl)-N-[2-(4-mesylphenyl)ethyl]benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(C=N1)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)C)N

Isomeric SMILES

CC(C)(C)CN1C(=C(C=N1)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)C)N

InChI

InChI=1S/C24H30N4O3S/c1-24(2,3)16-28-22(25)21(15-27-28)18-7-9-19(10-8-18)23(29)26-14-13-17-5-11-20(12-6-17)32(4,30)31/h5-12,15H,13-14,16,25H2,1-4H3,(H,26,29)