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

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2-thienylmethyl)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-(2-thenyl)acetamide Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S2/c21-17(18-11-13-4-3-9-27-13)12-26-16-6-5-14(10-15(16)20(22)23)28(24,25)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,11-12H2,(H,18,21)