2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-methyl-3-nitro-benzamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H13N3O5S2/c1-9-11(4-3-5-13(9)19(21)22)15(20)18-16-17-12-7-6-10(26(2,23)24)8-14(12)25-16/h3-8H,1-2H3,(H,17,18,20)