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

Systemtic Name: N-(3-bromophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(3-bromophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(3-bromophenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(3-bromophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(3-bromophenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C18H18BrN3O6S MolecularWeight: 484.32102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O6S/c19-13-4-3-5-14(10-13)20-18(23)12-28-17-7-6-15(11-16(17)22(24)25)29(26,27)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,23)