N-(2,1,3-benzothiadiazol-4-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-piazthiol-4-yl-acetamide Formula: C18H17N5O6S2 MolecularWeight: 463.48748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC4=NSN=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC4=NSN=C43)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S2/c24-17(19-13-4-3-5-14-18(13)21-30-20-14)11-29-16-7-6-12(10-15(16)23(25)26)31(27,28)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,19,24)