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

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H21N3O6S2/c24-19(14-23-20(25)17-9-2-3-10-18(17)31(23,28)29)21-15-7-6-8-16(13-15)30(26,27)22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,24)