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

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-benzyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c23-19(20-13-15-6-2-1-3-7-15)14-28-18-9-8-16(12-17(18)22(24)25)29(26,27)21-10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13-14H2,(H,20,23)