4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide Formula: C20H21N5O5S2 MolecularWeight: 475.54124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S2/c1-12(2)10-18-22-23-20(31-18)21-19(26)14-5-7-15(8-6-14)24-32(29,30)16-9-4-13(3)17(11-16)25(27)28/h4-9,11-12,24H,10H2,1-3H3,(H,21,23,26)