4-(3-bromanylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(3-bromanylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(3-bromophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(3-bromophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(3-bromophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(3-bromophenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C18H17BrN2O4S2 MolecularWeight: 469.37258

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)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN2O4S2/c1-27(23,24)14-7-8-15-16(11-14)26-18(20-15)21-17(22)6-3-9-25-13-5-2-4-12(19)10-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21,22)