N-(4-bromanyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-bromo-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-bromo-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-bromo-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(4-bromo-1,3-benzothiazol-2-yl)butyramide Formula: C17H15BrN2O3S2 MolecularWeight: 439.3466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=CC=C3Br

InChI

InChI=1S/C17H15BrN2O3S2/c18-13-8-4-9-14-16(13)20-17(24-14)19-15(21)10-5-11-25(22,23)12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,19,20,21)