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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-13(2)7-8-18-17(21)12-26-16-6-5-14(11-15(16)20(22)23)27(24,25)19-9-3-4-10-19/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,18,21)