2-(3-nitrophenoxy)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(3-nitrophenoxy)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(3-nitrophenoxy)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-(3-nitrophenoxy)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(3-nitrophenoxy)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-(3-nitrophenoxy)-1-(4-pyrrolidinosulfonylphenyl)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)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-18(13-26-16-5-3-4-15(12-16)20(22)23)14-6-8-17(9-7-14)27(24,25)19-10-1-2-11-19/h3-9,12H,1-2,10-11,13H2