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

Systemtic Name: 2-methyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 2-methyl-3-nitro-N-[5-[2-(p-tolylsulfonylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-methyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 2-methyl-3-nitro-N-[5-[2-(tosylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H19N5O5S2 MolecularWeight: 461.51466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C(S2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C(S2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O5S2/c1-12-6-8-14(9-7-12)31(28,29)20-11-10-17-22-23-19(30-17)21-18(25)15-4-3-5-16(13(15)2)24(26)27/h3-9,20H,10-11H2,1-2H3,(H,21,23,25)