N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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