2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-phenyl-ethanone

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-phenyl-ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-phenyl-ethanone CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-phenylethanone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-phenylethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-phenyl-ethanone Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c21-17(14-6-2-1-3-7-14)13-26-18-9-8-15(12-16(18)20(22)23)27(24,25)19-10-4-5-11-19/h1-3,6-9,12H,4-5,10-11,13H2