1-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]propan-1-one

Systemtic Name: 1-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]propan-1-one Openeye Name: 1-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]propan-1-one CAS Name: 1-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]-1-propanone IUPAC Name: 1-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]propan-1-one Traditional Name: 1-[4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)phenyl]propan-1-one Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-2-18(22)14-5-7-15(8-6-14)27-19-10-9-16(13-17(19)21(23)24)28(25,26)20-11-3-4-12-20/h5-10,13H,2-4,11-12H2,1H3