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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=C(C=CS3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=C(C=CS3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S2/c18-10-12-5-8-28-17(12)19-16(22)11-27-15-4-3-13(9-14(15)21(23)24)29(25,26)20-6-1-2-7-20/h3-5,8-9H,1-2,6-7,11H2,(H,19,22)