N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C19H19N3O6S2 MolecularWeight: 449.50066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C19H19N3O6S2/c23-18(13-22-19(24)16-8-1-2-9-17(16)30(22,27)28)20-14-6-5-7-15(12-14)29(25,26)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11,13H2,(H,20,23)