4-(dipropylsulfamoyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-(dipropylsulfamoyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(dipropylsulfamoyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-(dipropylsulfamoyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(dipropylsulfamoyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-(dipropylsulfamoyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S2/c1-3-12-25(13-4-2)33(30,31)18-10-8-15(9-11-18)19(27)22-21-24-23-20(32-21)16-6-5-7-17(14-16)26(28)29/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24,27)