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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O7S2/c1-2-31-17-10-9-15(13-19(17)32(27,28)23-11-5-6-12-23)22-20(25)14-24-21(26)16-7-3-4-8-18(16)33(24,29)30/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,25)