3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(2-pyrazol-1-ylpyridin-3-yl)benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(2-pyrazol-1-ylpyridin-3-yl)benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[2-(1-pyrazolyl)-3-pyridinyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-pyrazol-1-ylpyridin-3-yl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(2-pyrazol-1-yl-3-pyridyl)benzamide Formula: C21H22N6O4S MolecularWeight: 454.50218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H22N6O4S/c1-16(28)25-11-13-26(14-12-25)32(30,31)18-6-2-5-17(15-18)21(29)24-19-7-3-8-22-20(19)27-10-4-9-23-27/h2-10,15H,11-14H2,1H3,(H,24,29)