2-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]-1,3-benzothiazole

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]-1,3-benzothiazole Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]-1,3-benzothiazole CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]-1,3-benzothiazole IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]-1,3-benzothiazole Traditional Name: 2-[4-(4-mesyl-2-nitro-phenoxy)phenyl]-1,3-benzothiazole Formula: C20H14N2O5S2 MolecularWeight: 426.46556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O5S2/c1-29(25,26)15-10-11-18(17(12-15)22(23)24)27-14-8-6-13(7-9-14)20-21-16-4-2-3-5-19(16)28-20/h2-12H,1H3