N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-homoveratryl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O8S/c1-31-20-7-5-16(13-21(20)32-2)9-10-23-22(26)15-33-19-8-6-17(14-18(19)25(27)28)34(29,30)24-11-3-4-12-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,26)