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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C19H19N3O8S MolecularWeight: 449.43446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O8S/c23-19(20-13-3-5-17-18(9-13)30-12-29-17)11-28-16-6-4-14(10-15(16)22(24)25)31(26,27)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11-12H2,(H,20,23)