2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-pentan-3-yl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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