N-[(2S)-3-methylbutan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-12(2)13(3)18-17(21)11-26-16-7-6-14(10-15(16)20(22)23)27(24,25)19-8-4-5-9-19/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H,18,21)/t13-/m0/s1