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

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-pyrrolidino-ethanone Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c20-16(17-7-1-2-8-17)12-25-15-6-5-13(11-14(15)19(21)22)26(23,24)18-9-3-4-10-18/h5-6,11H,1-4,7-10,12H2