1-(5-bromanylthiophen-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C16H15BrN2O6S2 MolecularWeight: 475.3341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN2O6S2/c17-16-6-5-15(26-16)13(20)10-25-14-4-3-11(9-12(14)19(21)22)27(23,24)18-7-1-2-8-18/h3-6,9H,1-2,7-8,10H2