2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H24N2O9S MolecularWeight: 480.48826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O9S/c1-29-19-10-14(11-20(30-2)21(19)31-3)17(24)13-32-18-7-6-15(12-16(18)23(25)26)33(27,28)22-8-4-5-9-22/h6-7,10-12H,4-5,8-9,13H2,1-3H3