N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propionamide Formula: C17H15FN2O3S2 MolecularWeight: 378.441003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C17H15FN2O3S2/c18-13-6-7-14-15(10-13)24-17(19-14)20-16(21)8-9-25(22,23)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20,21)