3-methylsulfonyl-N-[2-methyl-4-(3-thiophen-2-ylpropanoylamino)phenyl]benzamide

Systemtic Name: 3-methylsulfonyl-N-[2-methyl-4-(3-thiophen-2-ylpropanoylamino)phenyl]benzamide Openeye Name: 3-methylsulfonyl-N-[2-methyl-4-[3-(2-thienyl)propanoylamino]phenyl]benzamide CAS Name: N-[2-methyl-4-[(1-oxo-3-thiophen-2-ylpropyl)amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: 3-methylsulfonyl-N-[2-methyl-4-(3-thiophen-2-ylpropanoylamino)phenyl]benzamide Traditional Name: 3-mesyl-N-[2-methyl-4-[3-(2-thienyl)propanoylamino]phenyl]benzamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC2=CC=CS2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC2=CC=CS2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22N2O4S2/c1-15-13-17(23-21(25)11-9-18-6-4-12-29-18)8-10-20(15)24-22(26)16-5-3-7-19(14-16)30(2,27)28/h3-8,10,12-14H,9,11H2,1-2H3,(H,23,25)(H,24,26)