N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(phenylmethyl)sulfonylpropanoylamino]benzamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(phenylmethyl)sulfonylpropanoylamino]benzamide Openeye Name: 2-(3-benzylsulfonylpropanoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]benzamide IUPAC Name: 2-(3-benzylsulfonylpropanoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC=CC=C2NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=CC=C2NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S2/c1-2-19-24-25-21(30-19)23-20(27)16-10-6-7-11-17(16)22-18(26)12-13-31(28,29)14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,26)(H,23,25,27)