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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-piperonyl-acetamide Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c24-20(21-11-14-3-5-18-19(9-14)31-13-30-18)12-29-17-6-4-15(10-16(17)23(25)26)32(27,28)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11-13H2,(H,21,24)