2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-thiophen-2-yl-ethanone

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-thiophen-2-yl-ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(2-thienyl)ethanone CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-thiophen-2-ylethanone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-thiophen-2-ylethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-(2-thienyl)ethanone Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S2/c19-14(16-4-3-9-25-16)11-24-15-6-5-12(10-13(15)18(20)21)26(22,23)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8,11H2