N-(3,5-dimethoxyphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O8S/c1-29-15-9-14(10-16(11-15)30-2)21-20(24)13-31-19-6-5-17(12-18(19)23(25)26)32(27,28)22-7-3-4-8-22/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,21,24)