2-methyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide CAS Name: 2-methyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(4-mesylbenzyl)-1,3,4-oxadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C18H16N4O6S MolecularWeight: 416.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(O2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(O2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N4O6S/c1-11-14(4-3-5-15(11)22(24)25)17(23)19-18-21-20-16(28-18)10-12-6-8-13(9-7-12)29(2,26)27/h3-9H,10H2,1-2H3,(H,19,21,23)