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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c1-14(19(22)15-7-3-2-4-8-15)27-18-10-9-16(13-17(18)21(23)24)28(25,26)20-11-5-6-12-20/h2-4,7-10,13-14H,5-6,11-12H2,1H3