3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(2-pyridylsulfamoyl)phenyl]propanamide CAS Name: 3-(1,3-benzoxazol-2-ylthio)-N-[4-(2-pyridinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-N-[4-(2-pyridylsulfamoyl)phenyl]propionamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

InChI

InChI=1S/C21H18N4O4S2/c26-20(12-14-30-21-24-17-5-1-2-6-18(17)29-21)23-15-8-10-16(11-9-15)31(27,28)25-19-7-3-4-13-22-19/h1-11,13H,12,14H2,(H,22,25)(H,23,26)