N-(2-methylbutan-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(2-methylbutan-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(2-methylbutan-2-yl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(2-methylbutan-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-tert-amyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-4-17(2,3)18-16(21)12-26-15-8-7-13(11-14(15)20(22)23)27(24,25)19-9-5-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,18,21)