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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-3-6-13(2)18-17(21)12-26-16-8-7-14(11-15(16)20(22)23)27(24,25)19-9-4-5-10-19/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,18,21)/t13-/m0/s1