N-(tert-butylcarbamoyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C17H24N4O7S MolecularWeight: 428.46006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O7S/c1-17(2,3)19-16(23)18-15(22)11-28-14-7-6-12(10-13(14)21(24)25)29(26,27)20-8-4-5-9-20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,18,19,22,23)