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

Systemtic Name: 5-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C15H10ClN3O5S2 MolecularWeight: 411.84

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H10ClN3O5S2/c1-26(23,24)9-3-4-11-13(7-9)25-15(17-11)18-14(20)10-6-8(16)2-5-12(10)19(21)22/h2-7H,1H3,(H,17,18,20)