3-(methylsulfonylmethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

Systemtic Name: 3-(methylsulfonylmethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide Openeye Name: 3-(methylsulfonylmethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide CAS Name: 3-(methylsulfonylmethyl)-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]benzamide IUPAC Name: 3-(methylsulfonylmethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide Traditional Name: 3-(mesylmethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)N3C=CC=N3

InChI

InChI=1S/C21H22N4O4S/c1-15(25-11-5-10-22-25)20(26)23-18-8-4-9-19(13-18)24-21(27)17-7-3-6-16(12-17)14-30(2,28)29/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,27)